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PubMed code 26330078

Compile data set for download or QSAR
Found 51 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50123599
PNG
(ETORPHINE)
Show SMILES [H][C@@]1(C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O)[C@](C)(O)CCC |r,wU:15.17,20.21,25.33,1.0,wD:9.10,3.3,6.7,c:4,THB:17:16:13.12.14:3,(12.5,-39.62,;11.02,-39.23,;12.37,-38.48,;12.38,-36.94,;11.6,-38.27,;10.46,-37.1,;9.7,-38.44,;8.61,-39.53,;7.12,-39.12,;9.72,-36.9,;8.94,-35.56,;9.73,-33.87,;11.06,-34.63,;12.4,-33.87,;13.73,-34.64,;13.72,-36.18,;14.48,-34.84,;15.81,-34.06,;12.94,-34.84,;12.54,-35.75,;11.06,-36.16,;12.39,-32.32,;11.06,-31.55,;9.73,-32.32,;8.39,-31.55,;11,-40.77,;10.98,-42.3,;9.46,-40.75,;12.54,-40.79,;13.29,-42.14,;14.83,-42.16,)|
Show InChI InChI=1/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/s2
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123599
PNG
(ETORPHINE)
Show SMILES [H][C@@]1(C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O)[C@](C)(O)CCC |r,wU:15.17,20.21,25.33,1.0,wD:9.10,3.3,6.7,c:4,THB:17:16:13.12.14:3,(12.5,-39.62,;11.02,-39.23,;12.37,-38.48,;12.38,-36.94,;11.6,-38.27,;10.46,-37.1,;9.7,-38.44,;8.61,-39.53,;7.12,-39.12,;9.72,-36.9,;8.94,-35.56,;9.73,-33.87,;11.06,-34.63,;12.4,-33.87,;13.73,-34.64,;13.72,-36.18,;14.48,-34.84,;15.81,-34.06,;12.94,-34.84,;12.54,-35.75,;11.06,-36.16,;12.39,-32.32,;11.06,-31.55,;9.73,-32.32,;8.39,-31.55,;11,-40.77,;10.98,-42.3,;9.46,-40.75,;12.54,-40.79,;13.29,-42.14,;14.83,-42.16,)|
Show InChI InChI=1/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/s2
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0.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123599
PNG
(ETORPHINE)
Show SMILES [H][C@@]1(C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O)[C@](C)(O)CCC |r,wU:15.17,20.21,25.33,1.0,wD:9.10,3.3,6.7,c:4,THB:17:16:13.12.14:3,(12.5,-39.62,;11.02,-39.23,;12.37,-38.48,;12.38,-36.94,;11.6,-38.27,;10.46,-37.1,;9.7,-38.44,;8.61,-39.53,;7.12,-39.12,;9.72,-36.9,;8.94,-35.56,;9.73,-33.87,;11.06,-34.63,;12.4,-33.87,;13.73,-34.64,;13.72,-36.18,;14.48,-34.84,;15.81,-34.06,;12.94,-34.84,;12.54,-35.75,;11.06,-36.16,;12.39,-32.32,;11.06,-31.55,;9.73,-32.32,;8.39,-31.55,;11,-40.77,;10.98,-42.3,;9.46,-40.75,;12.54,-40.79,;13.29,-42.14,;14.83,-42.16,)|
Show InChI InChI=1/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/s2
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2.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123598
PNG
(CHEMBL3622713)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16-,17-,18-,22+,23-,24-/s2
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4.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123597
PNG
(CHEMBL3622712)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16+,17+,18+,22-,23+,24+/s2
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21n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123590
PNG
(CHEMBL3622714)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18-,19-,20-,24-,25-,26+/s2
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48n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123601
PNG
(CHEMBL3622717)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19-,20-,21-,25-,26-,27+/s2
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108n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123595
PNG
(CHEMBL3622710)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C25H34O7/c1-6-25(14-29-4)11-17(21(27)30-5)23(2)9-7-16-22(28)32-18(15-8-10-31-13-15)12-24(16,3)19(23)20(25)26/h8,10,13,16-19H,6-7,9,11-12,14H2,1-5H3/t16-,17+,18+,19+,23+,24+,25-/s2
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210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123589
PNG
(CHEMBL3622715)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18+,19+,20+,24+,25+,26-/s2
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250n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123596
PNG
(CHEMBL3622711)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C25H34O7/c1-6-25(14-29-4)11-17(21(27)30-5)23(2)9-7-16-22(28)32-18(15-8-10-31-13-15)12-24(16,3)19(23)20(25)26/h8,10,13,16-19H,6-7,9,11-12,14H2,1-5H3/t16-,17-,18-,19-,23-,24-,25+/s2
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301n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123600
PNG
(CHEMBL3622718)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19+,20+,21+,25+,26+,27-/s2
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316n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123595
PNG
(CHEMBL3622710)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C25H34O7/c1-6-25(14-29-4)11-17(21(27)30-5)23(2)9-7-16-22(28)32-18(15-8-10-31-13-15)12-24(16,3)19(23)20(25)26/h8,10,13,16-19H,6-7,9,11-12,14H2,1-5H3/t16-,17+,18+,19+,23+,24+,25-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123589
PNG
(CHEMBL3622715)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18+,19+,20+,24+,25+,26-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123590
PNG
(CHEMBL3622714)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18-,19-,20-,24-,25-,26+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123600
PNG
(CHEMBL3622718)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19+,20+,21+,25+,26+,27-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123590
PNG
(CHEMBL3622714)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18-,19-,20-,24-,25-,26+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123603
PNG
(CHEMBL3621221)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20-,21-,22-,26-,27-,28+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123601
PNG
(CHEMBL3622717)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19-,20-,21-,25-,26-,27+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123598
PNG
(CHEMBL3622713)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16-,17-,18-,22+,23-,24-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123598
PNG
(CHEMBL3622713)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16-,17-,18-,22+,23-,24-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123596
PNG
(CHEMBL3622711)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C25H34O7/c1-6-25(14-29-4)11-17(21(27)30-5)23(2)9-7-16-22(28)32-18(15-8-10-31-13-15)12-24(16,3)19(23)20(25)26/h8,10,13,16-19H,6-7,9,11-12,14H2,1-5H3/t16-,17-,18-,19-,23-,24-,25+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123602
PNG
(CHEMBL3622716)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20+,21+,22+,26+,27+,28-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123601
PNG
(CHEMBL3622717)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19-,20-,21-,25-,26-,27+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123593
PNG
(CHEMBL3622709)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18-,19-,20-,24-,25-,26+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123602
PNG
(CHEMBL3622716)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20+,21+,22+,26+,27+,28-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123589
PNG
(CHEMBL3622715)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18+,19+,20+,24+,25+,26-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123597
PNG
(CHEMBL3622712)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16+,17+,18+,22-,23+,24+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123595
PNG
(CHEMBL3622710)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C25H34O7/c1-6-25(14-29-4)11-17(21(27)30-5)23(2)9-7-16-22(28)32-18(15-8-10-31-13-15)12-24(16,3)19(23)20(25)26/h8,10,13,16-19H,6-7,9,11-12,14H2,1-5H3/t16-,17+,18+,19+,23+,24+,25-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123592
PNG
(CHEMBL3622708)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123603
PNG
(CHEMBL3621221)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20-,21-,22-,26-,27-,28+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123596
PNG
(CHEMBL3622711)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C25H34O7/c1-6-25(14-29-4)11-17(21(27)30-5)23(2)9-7-16-22(28)32-18(15-8-10-31-13-15)12-24(16,3)19(23)20(25)26/h8,10,13,16-19H,6-7,9,11-12,14H2,1-5H3/t16-,17-,18-,19-,23-,24-,25+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123593
PNG
(CHEMBL3622709)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18-,19-,20-,24-,25-,26+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123593
PNG
(CHEMBL3622709)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18-,19-,20-,24-,25-,26+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123592
PNG
(CHEMBL3622708)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123603
PNG
(CHEMBL3621221)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20-,21-,22-,26-,27-,28+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123592
PNG
(CHEMBL3622708)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123602
PNG
(CHEMBL3622716)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20+,21+,22+,26+,27+,28-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(MOUSE)
BDBM50123597
PNG
(CHEMBL3622712)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16+,17+,18+,22-,23+,24+/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Rattus norvegicus (rat))
BDBM50123600
PNG
(CHEMBL3622718)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19+,20+,21+,25+,26+,27-/s2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123598
PNG
(CHEMBL3622713)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16-,17-,18-,22+,23-,24-/s2
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n/an/an/an/a 19n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50123597
PNG
(CHEMBL3622712)
Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1/C24H32O7/c1-22(13-28-4)10-16(20(26)29-5)23(2)8-6-15-21(27)31-17(14-7-9-30-12-14)11-24(15,3)18(23)19(22)25/h7,9,12,15-18H,6,8,10-11,13H2,1-5H3/t15-,16+,17+,18+,22-,23+,24+/s2
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n/an/an/an/a 81n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 25: 4689-92 (2015)

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


(Homo sapiens (Human))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 25: 4689-92 (2015)

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