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PubMed code 1315868

Compile data set for download or QSAR
Found 44 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
Mu-type opioid receptor


(CALF)		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mu-type opioid receptor


(CALF)		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(Homo sapiens (Human))		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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 2.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 3.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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 8.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 13n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 18n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 19n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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 28n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 33n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 49n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 49n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 50n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 63n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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 75n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 78n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		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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 82n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 89n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 89n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 98n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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 110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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 110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 190n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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 200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 250n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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>275n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 280n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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>300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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 330n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		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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>350n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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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>350n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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 420n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		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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 460n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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Similars
PubMed
>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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PubMed
>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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PubMed
>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)		BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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>600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2

J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%