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PubMed code 12565965

Compile data set for download or QSAR
Found 45 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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM SNC-80 as the agonist ligand for delta-rec...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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 0.120n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM SNC-80 as the agonist ligand for delta-rec...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.410n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 0.640n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123273
PNG
(19-cyclopropylmethyl-(2S,10R)-11-oxa-8,19-diazahex...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
Show InChI InChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
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 0.780n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123271
PNG
(19-cyclopropylmethyl-6-bromo-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(Br)cc1C[C@@]35O
Show InChI InChI=1S/C23H23BrN2O3/c24-15-7-14-9-23(28)17-8-13-3-4-16(27)20-18(13)22(23,21(29-20)19(14)25-10-15)5-6-26(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11H2/t17-,21+,22+,23-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123275
PNG
(19-cyclopropylmethyl-6-benzylamino-11-oxa-8,19-dia...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(NCc2ccccc2)cc1C[C@@]35O
Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-22(31-15-18-4-2-1-3-5-18)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-19-6-7-19/h1-5,8-9,12,16,19,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123273
PNG
(19-cyclopropylmethyl-(2S,10R)-11-oxa-8,19-diazahex...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
Show InChI InChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123277
PNG
(19-cyclopropylmethyl-6-phenyleaminomethyl-11-oxa-8...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(CNc2ccccc2)cc1C[C@@]35O
Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-19(15-31-22-4-2-1-3-5-22)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-18-6-7-18/h1-5,8-9,12,16,18,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1
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 1.80n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 1.80n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM DAMGO as the agonist ligand for mu-recepto...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 4.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM DAMGO as the agonist ligand for Mu-recepto...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123272
PNG
(CHEMBL357680 | ethyl 19-cyclopropylmethyl-2,13-dih...)
Show SMILES CCOC(=O)c1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Show InChI InChI=1S/C26H28N2O5/c1-2-32-24(30)17-9-16-11-26(31)19-10-15-5-6-18(29)22-20(15)25(26,23(33-22)21(16)27-12-17)7-8-28(19)13-14-3-4-14/h5-6,9,12,14,19,23,29,31H,2-4,7-8,10-11,13H2,1H3/t19-,23+,25+,26-/m1/s1
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 4.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123278
PNG
(19-cyclopropylmethyl-6-cyano-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)C#N
Show InChI InChI=1S/C24H23N3O3/c25-10-14-7-16-9-24(29)18-8-15-3-4-17(28)21-19(15)23(24,22(30-21)20(16)26-11-14)5-6-27(18)12-13-1-2-13/h3-4,7,11,13,18,22,28-29H,1-2,5-6,8-9,12H2/t18-,22+,23+,24-/m1/s1
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 4.5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123280
PNG
(19-cyclopropylmethyl-6-nitro-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O5/c27-16-4-3-13-8-17-23(28)9-14-7-15(26(29)30)10-24-19(14)21-22(23,18(13)20(16)31-21)5-6-25(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11H2/t17-,21+,22+,23-/m1/s1
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 5.5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 6n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123277
PNG
(19-cyclopropylmethyl-6-phenyleaminomethyl-11-oxa-8...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(CNc2ccccc2)cc1C[C@@]35O
Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-19(15-31-22-4-2-1-3-5-22)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-18-6-7-18/h1-5,8-9,12,16,18,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1
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 6n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 6.10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM DAMGO as the agonist ligand for Mu-recepto...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 6.5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM SNC-80 as the agonist ligand for delta-rec...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123275
PNG
(19-cyclopropylmethyl-6-benzylamino-11-oxa-8,19-dia...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(NCc2ccccc2)cc1C[C@@]35O
Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-22(31-15-18-4-2-1-3-5-18)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-19-6-7-19/h1-5,8-9,12,16,19,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1
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 6.70n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123276
PNG
(19-cyclopropylmethyl-6-amino-11-oxa-8,19-diazahexa...)
Show SMILES Nc1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Show InChI InChI=1S/C23H25N3O3/c24-15-7-14-9-23(28)17-8-13-3-4-16(27)20-18(13)22(23,21(29-20)19(14)25-10-15)5-6-26(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11,24H2/t17-,21+,22+,23-/m1/s1
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 8n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123273
PNG
(19-cyclopropylmethyl-(2S,10R)-11-oxa-8,19-diazahex...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
Show InChI InChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
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 8.80n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 8.80n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123272
PNG
(CHEMBL357680 | ethyl 19-cyclopropylmethyl-2,13-dih...)
Show SMILES CCOC(=O)c1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Show InChI InChI=1S/C26H28N2O5/c1-2-32-24(30)17-9-16-11-26(31)19-10-15-5-6-18(29)22-20(15)25(26,23(33-22)21(16)27-12-17)7-8-28(19)13-14-3-4-14/h5-6,9,12,14,19,23,29,31H,2-4,7-8,10-11,13H2,1H3/t19-,23+,25+,26-/m1/s1
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 9.60n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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 10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM SNC-80 as the agonist ligand for delta-rec...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123276
PNG
(19-cyclopropylmethyl-6-amino-11-oxa-8,19-diazahexa...)
Show SMILES Nc1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Show InChI InChI=1S/C23H25N3O3/c24-15-7-14-9-23(28)17-8-13-3-4-16(27)20-18(13)22(23,21(29-20)19(14)25-10-15)5-6-26(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11,24H2/t17-,21+,22+,23-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123276
PNG
(19-cyclopropylmethyl-6-amino-11-oxa-8,19-diazahexa...)
Show SMILES Nc1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Show InChI InChI=1S/C23H25N3O3/c24-15-7-14-9-23(28)17-8-13-3-4-16(27)20-18(13)22(23,21(29-20)19(14)25-10-15)5-6-26(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11,24H2/t17-,21+,22+,23-/m1/s1
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 13n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123275
PNG
(19-cyclopropylmethyl-6-benzylamino-11-oxa-8,19-dia...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(NCc2ccccc2)cc1C[C@@]35O
Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-22(31-15-18-4-2-1-3-5-18)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-19-6-7-19/h1-5,8-9,12,16,19,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM DAMGO as the agonist ligand for mu-recepto...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123271
PNG
(19-cyclopropylmethyl-6-bromo-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(Br)cc1C[C@@]35O
Show InChI InChI=1S/C23H23BrN2O3/c24-15-7-14-9-23(28)17-8-13-3-4-16(27)20-18(13)22(23,21(29-20)19(14)25-10-15)5-6-26(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11H2/t17-,21+,22+,23-/m1/s1
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 16n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123278
PNG
(19-cyclopropylmethyl-6-cyano-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)C#N
Show InChI InChI=1S/C24H23N3O3/c25-10-14-7-16-9-24(29)18-8-15-3-4-17(28)21-19(15)23(24,22(30-21)20(16)26-11-14)5-6-27(18)12-13-1-2-13/h3-4,7,11,13,18,22,28-29H,1-2,5-6,8-9,12H2/t18-,22+,23+,24-/m1/s1
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 16n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123280
PNG
(19-cyclopropylmethyl-6-nitro-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O5/c27-16-4-3-13-8-17-23(28)9-14-7-15(26(29)30)10-24-19(14)21-22(23,18(13)20(16)31-21)5-6-25(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11H2/t17-,21+,22+,23-/m1/s1
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 18n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 19n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123277
PNG
(19-cyclopropylmethyl-6-phenyleaminomethyl-11-oxa-8...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(CNc2ccccc2)cc1C[C@@]35O
Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-19(15-31-22-4-2-1-3-5-22)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-18-6-7-18/h1-5,8-9,12,16,18,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1
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 19n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 19n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 26n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123278
PNG
(19-cyclopropylmethyl-6-cyano-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)C#N
Show InChI InChI=1S/C24H23N3O3/c25-10-14-7-16-9-24(29)18-8-15-3-4-17(28)21-19(15)23(24,22(30-21)20(16)26-11-14)5-6-27(18)12-13-1-2-13/h3-4,7,11,13,18,22,28-29H,1-2,5-6,8-9,12H2/t18-,22+,23+,24-/m1/s1
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 34n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 36n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123272
PNG
(CHEMBL357680 | ethyl 19-cyclopropylmethyl-2,13-dih...)
Show SMILES CCOC(=O)c1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Show InChI InChI=1S/C26H28N2O5/c1-2-32-24(30)17-9-16-11-26(31)19-10-15-5-6-18(29)22-20(15)25(26,23(33-22)21(16)27-12-17)7-8-28(19)13-14-3-4-14/h5-6,9,12,14,19,23,29,31H,2-4,7-8,10-11,13H2,1H3/t19-,23+,25+,26-/m1/s1
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 37n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123271
PNG
(19-cyclopropylmethyl-6-bromo-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(Br)cc1C[C@@]35O
Show InChI InChI=1S/C23H23BrN2O3/c24-15-7-14-9-23(28)17-8-13-3-4-16(27)20-18(13)22(23,21(29-20)19(14)25-10-15)5-6-26(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11H2/t17-,21+,22+,23-/m1/s1
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 56n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123280
PNG
(19-cyclopropylmethyl-6-nitro-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O5/c27-16-4-3-13-8-17-23(28)9-14-7-15(26(29)30)10-24-19(14)21-22(23,18(13)20(16)31-21)5-6-25(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11H2/t17-,21+,22+,23-/m1/s1
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 92n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 99n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor was measured using [3H]DAMGO

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%