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PubMed code 8390575

Compile data set for download or QSAR
Found 28 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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 17n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 21n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		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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 36n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045114
PNG
(3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3
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 188n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 204n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor in presence of 120 mM NaCl and 50 micro M Gpp(NH)p

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045115
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1
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 224n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045115
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1
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 240n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045114
PNG
(3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3
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 690n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045117
PNG
(6,11-Dimethyl-3-(3-phenyl-propyl)-1,2,3,4,5,6-hexa...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C23H29NO/c1-17-22-15-19-10-11-20(25)16-21(19)23(17,2)12-14-24(22)13-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,16-17,22,25H,6,9,12-15H2,1-2H3/t17?,22?,23-/m1/s1
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 825n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045116
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26-/m0/s1
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 833n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor in presence of 120 mM NaCl and 50 micro M Gpp(NH)p

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045116
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26-/m0/s1
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 866n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045115
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1
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 926n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045117
PNG
(6,11-Dimethyl-3-(3-phenyl-propyl)-1,2,3,4,5,6-hexa...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C23H29NO/c1-17-22-15-19-10-11-20(25)16-21(19)23(17,2)12-14-24(22)13-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,16-17,22,25H,6,9,12-15H2,1-2H3/t17?,22?,23-/m1/s1
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 1.12E+3n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 2.13E+3n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045116
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26-/m0/s1
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 2.62E+3n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor in presence of 120 mM NaCl and 50 micro M Gpp(NH)p

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045118
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26+/m0/s1
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 2.64E+3n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045120
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:8:9:14:24.18.17|
Show InChI InChI=1S/C27H33NO3/c1-4-31-25(30)27(20-8-6-5-7-9-20)16-21(27)17-28-13-12-26(3)18(2)24(28)14-19-10-11-22(29)15-23(19)26/h5-11,15,18,21,24,29H,4,12-14,16-17H2,1-3H3/t18-,21?,24+,26+,27-/m0/s1
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 4.43E+3n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
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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 6.42E+3n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045113
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CCCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:9:10:15:25.19.18|
Show InChI InChI=1S/C28H35NO3/c1-4-14-32-26(31)28(21-8-6-5-7-9-21)17-22(28)18-29-13-12-27(3)19(2)25(29)15-20-10-11-23(30)16-24(20)27/h5-11,16,19,22,25,30H,4,12-15,17-18H2,1-3H3/t19-,22?,25+,27+,28-/m0/s1
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 6.43E+3n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045119
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CCCCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:10:11:16:26.20.19|
Show InChI InChI=1S/C29H37NO3/c1-4-5-15-33-27(32)29(22-9-7-6-8-10-22)18-23(29)19-30-14-13-28(3)20(2)26(30)16-21-11-12-24(31)17-25(21)28/h6-12,17,20,23,26,31H,4-5,13-16,18-19H2,1-3H3/t20-,23?,26+,28+,29-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045113
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CCCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:9:10:15:25.19.18|
Show InChI InChI=1S/C28H35NO3/c1-4-14-32-26(31)28(21-8-6-5-7-9-21)17-22(28)18-29-13-12-27(3)19(2)25(29)15-20-10-11-23(30)16-24(20)27/h5-11,16,19,22,25,30H,4,12-15,17-18H2,1-3H3/t19-,22?,25+,27+,28-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045116
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045119
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CCCCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:10:11:16:26.20.19|
Show InChI InChI=1S/C29H37NO3/c1-4-5-15-33-27(32)29(22-9-7-6-8-10-22)18-23(29)19-30-14-13-28(3)20(2)26(30)16-21-11-12-24(31)17-25(21)28/h6-12,17,20,23,26,31H,4-5,13-16,18-19H2,1-3H3/t20-,23?,26+,28+,29-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045115
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1
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Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50045121
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1C[C@]1(C(O)=O)c1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C25H29NO3/c1-16-22-12-17-8-9-20(27)13-21(17)24(16,2)10-11-26(22)15-19-14-25(19,23(28)29)18-6-4-3-5-7-18/h3-9,13,16,19,22,27H,10-12,14-15H2,1-2H3,(H,28,29)/t16-,19?,22+,24+,25-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045118
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES COC(=O)[C@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26+/m0/s1
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Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045120
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:8:9:14:24.18.17|
Show InChI InChI=1S/C27H33NO3/c1-4-31-25(30)27(20-8-6-5-7-9-20)16-21(27)17-28-13-12-26(3)18(2)24(28)14-19-10-11-22(29)15-23(19)26/h5-11,15,18,21,24,29H,4,12-14,16-17H2,1-3H3/t18-,21?,24+,26+,27-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50045121
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1C[C@]1(C(O)=O)c1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C25H29NO3/c1-16-22-12-17-8-9-20(27)13-21(17)24(16,2)10-11-26(22)15-19-14-25(19,23(28)29)18-6-4-3-5-7-18/h3-9,13,16,19,22,27H,10-12,14-15H2,1-2H3,(H,28,29)/t16-,19?,22+,24+,25-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine

J Med Chem 36: 1860-5 (1993)


BindingDB Entry DOI: 10.7270/Q2SF2WTH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%