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PubMed code 12431065

Compile data set for download or QSAR
Found 72 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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 0.0620n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
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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 0.810n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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 0.880n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50121331
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-(2S,13R)-1...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28?,29+/m0/s1
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 0.960n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50026996
PNG
(CHEMBL2113654)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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 1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026995
PNG
(CHEMBL2113653)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H27NO4/c1-3-12-28-13-11-26-22-16-9-10-19(29)24(22)32-25(26)23-18(17-7-5-6-8-20(17)31-23)15-27(26,30-4-2)21(28)14-16/h3,5-10,21,25,29H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026993
PNG
(CHEMBL2113645)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2n(CCC)c2ccccc12)OCCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C32H38N2O3/c1-3-14-34-24-8-6-5-7-22(24)23-18-32(36-16-4-2)26-17-21-11-12-25(35)29-27(21)31(32,30(37-29)28(23)34)13-15-33(26)19-20-9-10-20/h5-8,11-12,20,26,30,35H,3-4,9-10,13-19H2,1-2H3/t26-,30+,31+,32-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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 2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity was determined by inhibition of binding of [3H]DADLE to rat brain membrane

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026998
PNG
(CHEMBL2113662)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-4-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31-3)21(29)14-16)17-7-5-6-8-19(17)28(23)2/h4-10,21,25,30H,1,11-15H2,2-3H3/t21-,25+,26+,27-/m1/s1
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 2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026996
PNG
(CHEMBL2113654)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026993
PNG
(CHEMBL2113645)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2n(CCC)c2ccccc12)OCCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C32H38N2O3/c1-3-14-34-24-8-6-5-7-22(24)23-18-32(36-16-4-2)26-17-21-11-12-25(35)29-27(21)31(32,30(37-29)28(23)34)13-15-33(26)19-20-9-10-20/h5-8,11-12,20,26,30,35H,3-4,9-10,13-19H2,1-2H3/t26-,30+,31+,32-/m1/s1
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 3.10n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
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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 3.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026989
PNG
(CHEMBL2113657)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C26H26N2O3/c1-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30-2)20(28)13-15)16-6-4-5-7-18(16)27-22/h3-9,20,24,27,29H,1,10-14H2,2H3/t20-,24+,25+,26-/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50002049
PNG
(CHEMBL608246)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2C)c34 |r,TLB:30:29:22:31.3.2|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20-,24+,25+,26-/m1/s1
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 3.90n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026992
PNG
(CHEMBL2113656)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:29:28:22:2.3.30|
Show InChI InChI=1S/C25H26N2O3/c1-23-22-16(15-6-4-5-7-17(15)26-22)13-25(29-3)19-12-14-8-9-18(28)21(30-23)20(14)24(23,25)10-11-27(19)2/h4-9,19,26,28H,10-13H2,1-3H3/t19-,23+,24+,25-/m1/s1
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 4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121331
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-(2S,13R)-1...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28?,29+/m0/s1
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 4.40n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027003
PNG
(CHEMBL2113647)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2CC1CC1)c34 |r,TLB:31:30:22:2.3.35|
Show InChI InChI=1S/C30H34N2O3/c1-3-14-34-30-16-21-20-6-4-5-7-22(20)31-27(21)28(2)29(30)12-13-32(17-18-8-9-18)24(30)15-19-10-11-23(33)26(35-28)25(19)29/h4-7,10-11,18,24,31,33H,3,8-9,12-17H2,1-2H3/t24-,28+,29+,30-/m1/s1
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 5.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027000
PNG
(CHEMBL2113652)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2C)c34 |r,TLB:31:30:22:2.3.32|
Show InChI InChI=1S/C27H30N2O3/c1-4-13-31-27-15-18-17-7-5-6-8-19(17)28-24(18)25(2)26(27)11-12-29(3)21(27)14-16-9-10-20(30)23(32-25)22(16)26/h5-10,21,28,30H,4,11-15H2,1-3H3/t21-,25+,26+,27-/m1/s1
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 5.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027002
PNG
(CHEMBL2113661)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(CC=C)c2ccccc12)OCC=C)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C31H32N2O3/c1-4-14-32-16-13-30-26-20-11-12-24(34)28(26)36-29(30)27-22(19-31(30,25(32)18-20)35-17-6-3)21-9-7-8-10-23(21)33(27)15-5-2/h4-12,25,29,34H,1-3,13-19H2/t25-,29+,30+,31-/m1/s1
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 7.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
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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 8.90n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by U69,593 (Opioid receptor kappa 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027001
PNG
(CHEMBL2113660)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H30N2O3/c1-4-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31-3)21(29)14-16)17-7-5-6-8-19(17)28(23)2/h5-10,21,25,30H,4,11-15H2,1-3H3/t21-,25+,26+,27-/m1/s1
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 12n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027004
PNG
(CHEMBL2113659)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CC1CCC1)c34 |r,TLB:30:29:22:2.3.35|
Show InChI InChI=1S/C30H34N2O3/c1-3-34-30-16-21-20-9-4-5-10-22(20)31-27(21)28(2)29(30)13-14-32(17-18-7-6-8-18)24(30)15-19-11-12-23(33)26(35-28)25(19)29/h4-5,9-12,18,24,31,33H,3,6-8,13-17H2,1-2H3/t24-,28+,29+,30-/m1/s1
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 13n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
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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 13n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026991
PNG
(CHEMBL2113655)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC(C)C)[C@@]5(CCN2C)c34 |r,TLB:33:32:22:2.3.34|
Show InChI InChI=1S/C29H34N2O3/c1-17(2)11-14-33-29-16-20-19-7-5-6-8-21(19)30-26(20)27(3)28(29)12-13-31(4)23(29)15-18-9-10-22(32)25(34-27)24(18)28/h5-10,17,23,30,32H,11-16H2,1-4H3/t23-,27+,28+,29-/m1/s1
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 13n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026990
PNG
(CHEMBL2113658)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CC)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CCc1ccccc1)c34 |r,TLB:31:30:23:2.3.39|
Show InChI InChI=1S/C34H36N2O3/c1-3-33-31-25(24-12-8-9-13-26(24)35-31)21-34(38-4-2)28-20-23-14-15-27(37)30(39-33)29(23)32(33,34)17-19-36(28)18-16-22-10-6-5-7-11-22/h5-15,28,35,37H,3-4,16-21H2,1-2H3/t28-,32+,33+,34-/m1/s1
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 14n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026993
PNG
(CHEMBL2113645)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2n(CCC)c2ccccc12)OCCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C32H38N2O3/c1-3-14-34-24-8-6-5-7-22(24)23-18-32(36-16-4-2)26-17-21-11-12-25(35)29-27(21)31(32,30(37-29)28(23)34)13-15-33(26)19-20-9-10-20/h5-8,11-12,20,26,30,35H,3-4,9-10,13-19H2,1-2H3/t26-,30+,31+,32-/m1/s1
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 15n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
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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 16n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026995
PNG
(CHEMBL2113653)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H27NO4/c1-3-12-28-13-11-26-22-16-9-10-19(29)24(22)32-25(26)23-18(17-7-5-6-8-20(17)31-23)15-27(26,30-4-2)21(28)14-16/h3,5-10,21,25,29H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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 23n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027000
PNG
(CHEMBL2113652)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2C)c34 |r,TLB:31:30:22:2.3.32|
Show InChI InChI=1S/C27H30N2O3/c1-4-13-31-27-15-18-17-7-5-6-8-19(17)28-24(18)25(2)26(27)11-12-29(3)21(27)14-16-9-10-20(30)23(32-25)22(16)26/h5-10,21,28,30H,4,11-15H2,1-3H3/t21-,25+,26+,27-/m1/s1
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 30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026990
PNG
(CHEMBL2113658)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CC)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CCc1ccccc1)c34 |r,TLB:31:30:23:2.3.39|
Show InChI InChI=1S/C34H36N2O3/c1-3-33-31-25(24-12-8-9-13-26(24)35-31)21-34(38-4-2)28-20-23-14-15-27(37)30(39-33)29(23)32(33,34)17-19-36(28)18-16-22-10-6-5-7-11-22/h5-15,28,35,37H,3-4,16-21H2,1-2H3/t28-,32+,33+,34-/m1/s1
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 31n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026992
PNG
(CHEMBL2113656)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:29:28:22:2.3.30|
Show InChI InChI=1S/C25H26N2O3/c1-23-22-16(15-6-4-5-7-17(15)26-22)13-25(29-3)19-12-14-8-9-18(28)21(30-23)20(14)24(23,25)10-11-27(19)2/h4-9,19,26,28H,10-13H2,1-3H3/t19-,23+,24+,25-/m1/s1
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 58n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026995
PNG
(CHEMBL2113653)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H27NO4/c1-3-12-28-13-11-26-22-16-9-10-19(29)24(22)32-25(26)23-18(17-7-5-6-8-20(17)31-23)15-27(26,30-4-2)21(28)14-16/h3,5-10,21,25,29H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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 68n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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 94n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027001
PNG
(CHEMBL2113660)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H30N2O3/c1-4-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31-3)21(29)14-16)17-7-5-6-8-19(17)28(23)2/h5-10,21,25,30H,4,11-15H2,1-3H3/t21-,25+,26+,27-/m1/s1
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 106n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50027001
PNG
(CHEMBL2113660)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H30N2O3/c1-4-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31-3)21(29)14-16)17-7-5-6-8-19(17)28(23)2/h5-10,21,25,30H,4,11-15H2,1-3H3/t21-,25+,26+,27-/m1/s1
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 115n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50121331
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-(2S,13R)-1...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28?,29+/m0/s1
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 134n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026998
PNG
(CHEMBL2113662)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-4-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31-3)21(29)14-16)17-7-5-6-8-19(17)28(23)2/h4-10,21,25,30H,1,11-15H2,2-3H3/t21-,25+,26+,27-/m1/s1
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 149n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026999
PNG
(CHEMBL2113663)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(Cc2ccccc2Cl)c2ccccc12)OCc1ccccc1Cl)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C39H34Cl2N2O3/c1-2-18-42-19-17-38-34-24-15-16-32(44)36(34)46-37(38)35-28(21-39(38,33(42)20-24)45-23-26-10-4-7-13-30(26)41)27-11-5-8-14-31(27)43(35)22-25-9-3-6-12-29(25)40/h2-16,33,37,44H,1,17-23H2/t33-,37+,38+,39-/m1/s1
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 151n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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 171n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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 185n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026989
PNG
(CHEMBL2113657)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C26H26N2O3/c1-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30-2)20(28)13-15)16-6-4-5-7-18(16)27-22/h3-9,20,24,27,29H,1,10-14H2,2H3/t20-,24+,25+,26-/m1/s1
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 233n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026991
PNG
(CHEMBL2113655)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC(C)C)[C@@]5(CCN2C)c34 |r,TLB:33:32:22:2.3.34|
Show InChI InChI=1S/C29H34N2O3/c1-17(2)11-14-33-29-16-20-19-7-5-6-8-21(19)30-26(20)27(3)28(29)12-13-31(4)23(29)15-18-9-10-22(32)25(34-27)24(18)28/h5-10,17,23,30,32H,11-16H2,1-4H3/t23-,27+,28+,29-/m1/s1
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 238n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121331
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-(2S,13R)-1...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28?,29+/m0/s1
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 340n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026996
PNG
(CHEMBL2113654)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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 349n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026997
PNG
(CHEMBL2113651)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CCCCC6)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:20:6.5.4|
Show InChI InChI=1S/C30H34N2O3/c1-34-30-16-21-20-9-5-6-10-22(20)31-26(21)28-29(30)13-14-32(17-18-7-3-2-4-8-18)24(30)15-19-11-12-23(33)27(35-28)25(19)29/h5-6,9-12,18,24,28,31,33H,2-4,7-8,13-17H2,1H3/t24-,28+,29+,30-/m1/s1
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 370n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50027004
PNG
(CHEMBL2113659)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CC1CCC1)c34 |r,TLB:30:29:22:2.3.35|
Show InChI InChI=1S/C30H34N2O3/c1-3-34-30-16-21-20-9-4-5-10-22(20)31-27(21)28(2)29(30)13-14-32(17-18-7-6-8-18)24(30)15-19-11-12-23(33)26(35-28)25(19)29/h4-5,9-12,18,24,31,33H,3,6-8,13-17H2,1-2H3/t24-,28+,29+,30-/m1/s1
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 378n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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 395n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027004
PNG
(CHEMBL2113659)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CC1CCC1)c34 |r,TLB:30:29:22:2.3.35|
Show InChI InChI=1S/C30H34N2O3/c1-3-34-30-16-21-20-9-4-5-10-22(20)31-27(21)28(2)29(30)13-14-32(17-18-7-6-8-18)24(30)15-19-11-12-23(33)26(35-28)25(19)29/h4-5,9-12,18,24,31,33H,3,6-8,13-17H2,1-2H3/t24-,28+,29+,30-/m1/s1
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 409n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50027003
PNG
(CHEMBL2113647)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2CC1CC1)c34 |r,TLB:31:30:22:2.3.35|
Show InChI InChI=1S/C30H34N2O3/c1-3-14-34-30-16-21-20-6-4-5-7-22(20)31-27(21)28(2)29(30)12-13-32(17-18-8-9-18)24(30)15-19-10-11-23(33)26(35-28)25(19)29/h4-7,10-11,18,24,31,33H,3,8-9,12-17H2,1-2H3/t24-,28+,29+,30-/m1/s1
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 504n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50002049
PNG
(CHEMBL608246)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2C)c34 |r,TLB:30:29:22:31.3.2|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20-,24+,25+,26-/m1/s1
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 515n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027003
PNG
(CHEMBL2113647)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2CC1CC1)c34 |r,TLB:31:30:22:2.3.35|
Show InChI InChI=1S/C30H34N2O3/c1-3-14-34-30-16-21-20-6-4-5-7-22(20)31-27(21)28(2)29(30)12-13-32(17-18-8-9-18)24(30)15-19-10-11-23(33)26(35-28)25(19)29/h4-7,10-11,18,24,31,33H,3,8-9,12-17H2,1-2H3/t24-,28+,29+,30-/m1/s1
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 555n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50027000
PNG
(CHEMBL2113652)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2C)c34 |r,TLB:31:30:22:2.3.32|
Show InChI InChI=1S/C27H30N2O3/c1-4-13-31-27-15-18-17-7-5-6-8-19(17)28-24(18)25(2)26(27)11-12-29(3)21(27)14-16-9-10-20(30)23(32-25)22(16)26/h5-10,21,28,30H,4,11-15H2,1-3H3/t21-,25+,26+,27-/m1/s1
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 556n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50002049
PNG
(CHEMBL608246)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2C)c34 |r,TLB:30:29:22:31.3.2|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20-,24+,25+,26-/m1/s1
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 725n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026998
PNG
(CHEMBL2113662)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-4-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31-3)21(29)14-16)17-7-5-6-8-19(17)28(23)2/h4-10,21,25,30H,1,11-15H2,2-3H3/t21-,25+,26+,27-/m1/s1
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 731n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50027002
PNG
(CHEMBL2113661)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(CC=C)c2ccccc12)OCC=C)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C31H32N2O3/c1-4-14-32-16-13-30-26-20-11-12-24(34)28(26)36-29(30)27-22(19-31(30,25(32)18-20)35-17-6-3)21-9-7-8-10-23(21)33(27)15-5-2/h4-12,25,29,34H,1-3,13-19H2/t25-,29+,30+,31-/m1/s1
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 763n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026989
PNG
(CHEMBL2113657)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C26H26N2O3/c1-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30-2)20(28)13-15)16-6-4-5-7-18(16)27-22/h3-9,20,24,27,29H,1,10-14H2,2H3/t20-,24+,25+,26-/m1/s1
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 869n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027002
PNG
(CHEMBL2113661)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(CC=C)c2ccccc12)OCC=C)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C31H32N2O3/c1-4-14-32-16-13-30-26-20-11-12-24(34)28(26)36-29(30)27-22(19-31(30,25(32)18-20)35-17-6-3)21-9-7-8-10-23(21)33(27)15-5-2/h4-12,25,29,34H,1-3,13-19H2/t25-,29+,30+,31-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026999
PNG
(CHEMBL2113663)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(Cc2ccccc2Cl)c2ccccc12)OCc1ccccc1Cl)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C39H34Cl2N2O3/c1-2-18-42-19-17-38-34-24-15-16-32(44)36(34)46-37(38)35-28(21-39(38,33(42)20-24)45-23-26-10-4-7-13-30(26)41)27-11-5-8-14-31(27)43(35)22-25-9-3-6-12-29(25)40/h2-16,33,37,44H,1,17-23H2/t33-,37+,38+,39-/m1/s1
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 1.23E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026991
PNG
(CHEMBL2113655)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC(C)C)[C@@]5(CCN2C)c34 |r,TLB:33:32:22:2.3.34|
Show InChI InChI=1S/C29H34N2O3/c1-17(2)11-14-33-29-16-20-19-7-5-6-8-21(19)30-26(20)27(3)28(29)12-13-31(4)23(29)15-18-9-10-22(32)25(34-27)24(18)28/h5-10,17,23,30,32H,11-16H2,1-4H3/t23-,27+,28+,29-/m1/s1
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 1.26E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026996
PNG
(CHEMBL2113654)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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 1.37E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026992
PNG
(CHEMBL2113656)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:29:28:22:2.3.30|
Show InChI InChI=1S/C25H26N2O3/c1-23-22-16(15-6-4-5-7-17(15)26-22)13-25(29-3)19-12-14-8-9-18(28)21(30-23)20(14)24(23,25)10-11-27(19)2/h4-9,19,26,28H,10-13H2,1-3H3/t19-,23+,24+,25-/m1/s1
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 1.53E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026997
PNG
(CHEMBL2113651)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CCCCC6)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:20:6.5.4|
Show InChI InChI=1S/C30H34N2O3/c1-34-30-16-21-20-9-5-6-10-22(20)31-26(21)28-29(30)13-14-32(17-18-7-3-2-4-8-18)24(30)15-19-11-12-23(33)27(35-28)25(19)29/h5-6,9-12,18,24,28,31,33H,2-4,7-8,13-17H2,1H3/t24-,28+,29+,30-/m1/s1
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 3.25E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026990
PNG
(CHEMBL2113658)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CC)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CCc1ccccc1)c34 |r,TLB:31:30:23:2.3.39|
Show InChI InChI=1S/C34H36N2O3/c1-3-33-31-25(24-12-8-9-13-26(24)35-31)21-34(38-4-2)28-20-23-14-15-27(37)30(39-33)29(23)32(33,34)17-19-36(28)18-16-22-10-6-5-7-11-22/h5-15,28,35,37H,3-4,16-21H2,1-2H3/t28-,32+,33+,34-/m1/s1
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 3.64E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50026996
PNG
(CHEMBL2113654)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by U69,593 (Opioid receptor kappa 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026996
PNG
(CHEMBL2113654)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by U69,593 (Opioid receptor kappa 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50121331
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-(2S,13R)-1...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28?,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by U69,593 (Opioid receptor kappa 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50121331
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-(2S,13R)-1...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28?,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1) antagonist

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50026997
PNG
(CHEMBL2113651)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CCCCC6)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:20:6.5.4|
Show InChI InChI=1S/C30H34N2O3/c1-34-30-16-21-20-9-5-6-10-22(20)31-26(21)28-29(30)13-14-32(17-18-7-3-2-4-8-18)24(30)15-19-11-12-23(33)27(35-28)25(19)29/h5-6,9-12,18,24,28,31,33H,2-4,7-8,13-17H2,1H3/t24-,28+,29+,30-/m1/s1
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 1.40E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026999
PNG
(CHEMBL2113663)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(Cc2ccccc2Cl)c2ccccc12)OCc1ccccc1Cl)ccc3O |r,THB:10:9:16:6.5.4|
Show InChI InChI=1S/C39H34Cl2N2O3/c1-2-18-42-19-17-38-34-24-15-16-32(44)36(34)46-37(38)35-28(21-39(38,33(42)20-24)45-23-26-10-4-7-13-30(26)41)27-11-5-8-14-31(27)43(35)22-25-9-3-6-12-29(25)40/h2-16,33,37,44H,1,17-23H2/t33-,37+,38+,39-/m1/s1
PDB

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UniChem

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PubMed
 7.21E+5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.

J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%