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PubMed code 1333013

Compile data set for download or QSAR
Found 29 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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 0.0300n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
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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 0.700n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
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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 3.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50001674
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@H]35 |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O2/c25-17-6-5-11-9-16-14-10-13-12-3-1-2-4-15(12)24-19(13)21-22(14,7-8-23-16)18(11)20(17)26-21/h1-6,14,16,21,23-25H,7-10H2/t14-,16?,21-,22-/m0/s1
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 5.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001675
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1
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 11n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001679
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:33:7.17.16,21:22:33:7.17.16|
Show InChI InChI=1S/C30H28N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,24,28,31,33-34H,12-17H2/t24?,28-,29-,30+/m0/s1
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 11n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001677
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1
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 22n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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 35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001678
PNG
(22-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Show InChI InChI=1S/C31H28N2O2/c34-26-13-12-20-17-25-23-18-22-21-10-4-5-11-24(21)32-28(22)30-31(23,27(20)29(26)35-30)14-16-33(25)15-6-9-19-7-2-1-3-8-19/h1-13,23,25,30,32,34H,14-18H2/b9-6+/t23-,25?,30-,31-/m0/s1
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 106n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001677
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1
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 173n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
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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 332n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001674
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@H]35 |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O2/c25-17-6-5-11-9-16-14-10-13-12-3-1-2-4-15(12)24-19(13)21-22(14,7-8-23-16)18(11)20(17)26-21/h1-6,14,16,21,23-25H,7-10H2/t14-,16?,21-,22-/m0/s1
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 375n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
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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 468n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001674
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@H]35 |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O2/c25-17-6-5-11-9-16-14-10-13-12-3-1-2-4-15(12)24-19(13)21-22(14,7-8-23-16)18(11)20(17)26-21/h1-6,14,16,21,23-25H,7-10H2/t14-,16?,21-,22-/m0/s1
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 935n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001679
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:33:7.17.16,21:22:33:7.17.16|
Show InChI InChI=1S/C30H28N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,24,28,31,33-34H,12-17H2/t24?,28-,29-,30+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50001679
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:33:7.17.16,21:22:33:7.17.16|
Show InChI InChI=1S/C30H28N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,24,28,31,33-34H,12-17H2/t24?,28-,29-,30+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001675
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor mu 1 in guinea pig brain membranes

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50001675
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001678
PNG
(22-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Show InChI InChI=1S/C31H28N2O2/c34-26-13-12-20-17-25-23-18-22-21-10-4-5-11-24(21)32-28(22)30-31(23,27(20)29(26)35-30)14-16-33(25)15-6-9-19-7-2-1-3-8-19/h1-13,23,25,30,32,34H,14-18H2/b9-6+/t23-,25?,30-,31-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50001678
PNG
(22-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Show InChI InChI=1S/C31H28N2O2/c34-26-13-12-20-17-25-23-18-22-21-10-4-5-11-24(21)32-28(22)30-31(23,27(20)29(26)35-30)14-16-33(25)15-6-9-19-7-2-1-3-8-19/h1-13,23,25,30,32,34H,14-18H2/b9-6+/t23-,25?,30-,31-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50001677
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1
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 2.62E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
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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 4.47E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse)-MOUSE)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference.

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse)-MOUSE)		BDBM50001674
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@H]35 |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O2/c25-17-6-5-11-9-16-14-10-13-12-3-1-2-4-15(12)24-19(13)21-22(14,7-8-23-16)18(11)20(17)26-21/h1-6,14,16,21,23-25H,7-10H2/t14-,16?,21-,22-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse)-MOUSE)		BDBM50001675
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1
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n/an/a 124n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse)-MOUSE)		BDBM50001679
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:33:7.17.16,21:22:33:7.17.16|
Show InChI InChI=1S/C30H28N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,24,28,31,33-34H,12-17H2/t24?,28-,29-,30+/m0/s1
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n/an/a 171n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse)-MOUSE)		BDBM50001677
PNG
(22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1
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n/an/a 179n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference

J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%