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PubMed code 19211245

Compile data set for download or QSAR
Found 27 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))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266991
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cnn[nH]1 |r|
Show InChI InChI=1S/C21H27N3O7/c1-10(25)30-14-7-12(18(27)29-4)20(2)6-5-11-19(28)31-15(13-9-22-24-23-13)8-21(11,3)17(20)16(14)26/h9,11-12,14-15,17H,5-8H2,1-4H3,(H,22,23,24)/t11-,12+,14+,15+,17+,20+,21+/m1/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 human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/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]DAMGO from rat mu opioid receptor expressed in CHO cells at 1 uM


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266962
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cn(COC(=O)C(C)(C)C)nn1 |r|
Show InChI InChI=1S/C27H37N3O9/c1-14(31)38-18-10-16(22(33)36-7)26(5)9-8-15-23(34)39-19(11-27(15,6)21(26)20(18)32)17-12-30(29-28-17)13-37-24(35)25(2,3)4/h12,15-16,18-19,21H,8-11,13H2,1-7H3/t15-,16-,18-,19-,21-,26-,27-/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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266990
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cnn[nH]1 |r|
Show InChI InChI=1S/C21H27N3O7/c1-10(25)30-14-7-12(18(27)29-4)20(2)6-5-11-19(28)31-15(13-9-22-24-23-13)8-21(11,3)17(20)16(14)26/h9,11-12,14-15,17H,5-8H2,1-4H3,(H,22,23,24)/t11-,12-,14-,15-,17-,20-,21-/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 human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266991
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cnn[nH]1 |r|
Show InChI InChI=1S/C21H27N3O7/c1-10(25)30-14-7-12(18(27)29-4)20(2)6-5-11-19(28)31-15(13-9-22-24-23-13)8-21(11,3)17(20)16(14)26/h9,11-12,14-15,17H,5-8H2,1-4H3,(H,22,23,24)/t11-,12+,14+,15+,17+,20+,21+/m1/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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of EGTA


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266917
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cn(C)nn1 |r|
Show InChI InChI=1S/C22H29N3O7/c1-11(26)31-15-8-13(19(28)30-5)21(2)7-6-12-20(29)32-16(14-10-25(4)24-23-14)9-22(12,3)18(21)17(15)27/h10,12-13,15-16,18H,6-9H2,1-5H3/t12-,13-,15-,16-,18-,21-,22-/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 human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266960
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(1...)
Show SMILES CCn1cc(nn1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
Show InChI InChI=1S/C23H31N3O7/c1-6-26-11-15(24-25-26)17-10-23(4)13(21(30)33-17)7-8-22(3)14(20(29)31-5)9-16(32-12(2)27)18(28)19(22)23/h11,13-14,16-17,19H,6-10H2,1-5H3/t13-,14-,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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266962
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cn(COC(=O)C(C)(C)C)nn1 |r|
Show InChI InChI=1S/C27H37N3O9/c1-14(31)38-18-10-16(22(33)36-7)26(5)9-8-15-23(34)39-19(11-27(15,6)21(26)20(18)32)17-12-30(29-28-17)13-37-24(35)25(2,3)4/h12,15-16,18-19,21H,8-11,13H2,1-7H3/t15-,16-,18-,19-,21-,26-,27-/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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266991
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cnn[nH]1 |r|
Show InChI InChI=1S/C21H27N3O7/c1-10(25)30-14-7-12(18(27)29-4)20(2)6-5-11-19(28)31-15(13-9-22-24-23-13)8-21(11,3)17(20)16(14)26/h9,11-12,14-15,17H,5-8H2,1-4H3,(H,22,23,24)/t11-,12+,14+,15+,17+,20+,21+/m1/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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266962
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cn(COC(=O)C(C)(C)C)nn1 |r|
Show InChI InChI=1S/C27H37N3O9/c1-14(31)38-18-10-16(22(33)36-7)26(5)9-8-15-23(34)39-19(11-27(15,6)21(26)20(18)32)17-12-30(29-28-17)13-37-24(35)25(2,3)4/h12,15-16,18-19,21H,8-11,13H2,1-7H3/t15-,16-,18-,19-,21-,26-,27-/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 human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266960
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(1...)
Show SMILES CCn1cc(nn1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
Show InChI InChI=1S/C23H31N3O7/c1-6-26-11-15(24-25-26)17-10-23(4)13(21(30)33-17)7-8-22(3)14(20(29)31-5)9-16(32-12(2)27)18(28)19(22)23/h11,13-14,16-17,19H,6-10H2,1-5H3/t13-,14-,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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266961
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(1...)
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)c1cn(Cc2ccccc2)nn1 |r|
Show InChI InChI=1S/C28H33N3O7/c1-16(32)37-21-12-19(25(34)36-4)27(2)11-10-18-26(35)38-22(13-28(18,3)24(27)23(21)33)20-15-31(30-29-20)14-17-8-6-5-7-9-17/h5-9,15,18-19,21-22,24H,10-14H2,1-4H3/t18-,19-,21-,22-,24-,27-,28-/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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266961
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(1...)
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)c1cn(Cc2ccccc2)nn1 |r|
Show InChI InChI=1S/C28H33N3O7/c1-16(32)37-21-12-19(25(34)36-4)27(2)11-10-18-26(35)38-22(13-28(18,3)24(27)23(21)33)20-15-31(30-29-20)14-17-8-6-5-7-9-17/h5-9,15,18-19,21-22,24H,10-14H2,1-4H3/t18-,19-,21-,22-,24-,27-,28-/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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266990
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cnn[nH]1 |r|
Show InChI InChI=1S/C21H27N3O7/c1-10(25)30-14-7-12(18(27)29-4)20(2)6-5-11-19(28)31-15(13-9-22-24-23-13)8-21(11,3)17(20)16(14)26/h9,11-12,14-15,17H,5-8H2,1-4H3,(H,22,23,24)/t11-,12-,14-,15-,17-,20-,21-/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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266961
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(1...)
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)c1cn(Cc2ccccc2)nn1 |r|
Show InChI InChI=1S/C28H33N3O7/c1-16(32)37-21-12-19(25(34)36-4)27(2)11-10-18-26(35)38-22(13-28(18,3)24(27)23(21)33)20-15-31(30-29-20)14-17-8-6-5-7-9-17/h5-9,15,18-19,21-22,24H,10-14H2,1-4H3/t18-,19-,21-,22-,24-,27-,28-/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 human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266990
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cnn[nH]1 |r|
Show InChI InChI=1S/C21H27N3O7/c1-10(25)30-14-7-12(18(27)29-4)20(2)6-5-11-19(28)31-15(13-9-22-24-23-13)8-21(11,3)17(20)16(14)26/h9,11-12,14-15,17H,5-8H2,1-4H3,(H,22,23,24)/t11-,12-,14-,15-,17-,20-,21-/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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266917
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cn(C)nn1 |r|
Show InChI InChI=1S/C22H29N3O7/c1-11(26)31-15-8-13(19(28)30-5)21(2)7-6-12-20(29)32-16(14-10-25(4)24-23-14)9-22(12,3)18(21)17(15)27/h10,12-13,15-16,18H,6-9H2,1-5H3/t12-,13-,15-,16-,18-,21-,22-/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 cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266960
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(1...)
Show SMILES CCn1cc(nn1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
Show InChI InChI=1S/C23H31N3O7/c1-6-26-11-15(24-25-26)17-10-23(4)13(21(30)33-17)7-8-22(3)14(20(29)31-5)9-16(32-12(2)27)18(28)19(22)23/h11,13-14,16-17,19H,6-10H2,1-5H3/t13-,14-,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 human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/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 human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266917
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1cn(C)nn1 |r|
Show InChI InChI=1S/C22H29N3O7/c1-11(26)31-15-8-13(19(28)30-5)21(2)7-6-12-20(29)32-16(14-10-25(4)24-23-14)9-22(12,3)18(21)17(15)27/h10,12-13,15-16,18H,6-9H2,1-5H3/t12-,13-,15-,16-,18-,21-,22-/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 mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase in U50488-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%