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PubMed code 2832603

Compile data set for download or QSAR
Found 68 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))		BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
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/t12-,17?,19-/m0/s1
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 0.570n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
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/t12-,17?,19-/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(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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 1.80n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018786
PNG
(CHEMBL538309 | N-(2-Azocan-1-yl-cyclohexyl)-N-meth...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C22H31Cl3N2O2/c1-26(21(28)15-29-16-13-17(23)22(25)18(24)14-16)19-9-5-6-10-20(19)27-11-7-3-2-4-8-12-27/h13-14,19-20H,2-12,15H2,1H3/t19-,20-/m1/s1
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 3.10n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018768
PNG
(CHEMBL556957 | N-(2-Azepan-1-yl-cyclohexyl)-2-(4-c...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C23H35ClN2O2/c1-17-14-19(15-18(2)23(17)24)28-16-22(27)25(3)20-10-6-7-11-21(20)26-12-8-4-5-9-13-26/h14-15,20-21H,4-13,16H2,1-3H3/t20-,21-/m1/s1
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 4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018762
PNG
(2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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 4.20n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018767
PNG
(CHEMBL535581 | N-(2-Azocan-1-yl-cyclohexyl)-N-meth...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C22H30Cl4N2O2/c1-27(19(29)14-30-18-13-15(23)20(24)22(26)21(18)25)16-9-5-6-10-17(16)28-11-7-3-2-4-8-12-28/h13,16-17H,2-12,14H2,1H3/t16-,17-/m1/s1
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 5.60n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018771
PNG
(CHEMBL535801 | N-(2-Azepan-1-yl-cyclohexyl)-N-meth...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C21H28Cl4N2O2/c1-26(15-8-4-5-9-16(15)27-10-6-2-3-7-11-27)18(28)13-29-17-12-14(22)19(23)21(25)20(17)24/h12,15-16H,2-11,13H2,1H3/t15-,16-/m1/s1
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 6.40n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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 7.30n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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 9.60n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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 9.60n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 15 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
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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 10n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018781
PNG
(CHEMBL557426 | N-Methyl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)18(25)12-26-13-10-14(20)19(22)15(21)11-13/h10-11,16-17H,2-9,12H2,1H3/t16-,17-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018762
PNG
(2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 60 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018762
PNG
(2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM83436
PNG
(2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(1...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
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 17n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018778
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-[2-(methyl-phen...)
Show SMILES CN(CCc1ccccc1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C26H32N2OS/c1-27(17-15-20-9-4-3-5-10-20)23-12-6-7-13-24(23)28(2)26(29)19-21-11-8-14-25-22(21)16-18-30-25/h3-5,8-11,14,16,18,23-24H,6-7,12-13,15,17,19H2,1-2H3/t23-,24-/m1/s1
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 26n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018784
PNG
(CHEMBL559217 | N-(2-Azepan-1-yl-cyclohexyl)-2-benz...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C23H32N2O2/c1-24(23(26)17-18-9-8-12-22-19(18)13-16-27-22)20-10-4-5-11-21(20)25-14-6-2-3-7-15-25/h8-9,12-13,16,20-21H,2-7,10-11,14-15,17H2,1H3/t20-,21-/m1/s1
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 29n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018778
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-[2-(methyl-phen...)
Show SMILES CN(CCc1ccccc1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C26H32N2OS/c1-27(17-15-20-9-4-3-5-10-20)23-12-6-7-13-24(23)28(2)26(29)19-21-11-8-14-25-22(21)16-18-30-25/h3-5,8-11,14,16,18,23-24H,6-7,12-13,15,17,19H2,1-2H3/t23-,24-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018764
PNG
(2-(3,4-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O2/c1-22(17-6-2-3-7-18(17)23-10-4-5-11-23)19(24)13-25-14-8-9-15(20)16(21)12-14/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 35n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018788
PNG
(CHEMBL537169 | N-(2-Azepan-1-yl-cyclohexyl)-2-benz...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C23H32N2OS/c1-24(23(26)17-18-9-8-12-22-19(18)13-16-27-22)20-10-4-5-11-21(20)25-14-6-2-3-7-15-25/h8-9,12-13,16,20-21H,2-7,10-11,14-15,17H2,1H3/t20-,21-/m1/s1
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 40n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018783
PNG
(CHEMBL539582 | N-[2-(Allyl-methyl-amino)-cyclohexy...)
Show SMILES CN(CC=C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-4-13-22(2)18-9-5-6-10-19(18)23(3)21(24)15-16-8-7-11-20-17(16)12-14-25-20/h4,7-8,11-12,14,18-19H,1,5-6,9-10,13,15H2,2-3H3/t18-,19-/m1/s1
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 52n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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 52n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018776
PNG
(CHEMBL537615 | N-(2-Azepan-1-yl-cyclohexyl)-2-(3,5...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H30Cl2N2O2/c1-24(21(26)15-27-18-13-16(22)12-17(23)14-18)19-8-4-5-9-20(19)25-10-6-2-3-7-11-25/h12-14,19-20H,2-11,15H2,1H3/t19-,20-/m1/s1
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 72n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018763
PNG
(2-(1H-Indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-23(19-10-4-5-11-20(19)24-12-6-7-13-24)21(25)14-16-15-22-18-9-3-2-8-17(16)18/h2-3,8-9,15,19-20,22H,4-7,10-14H2,1H3/t19-,20-/m1/s1
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 74n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018779
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-{2-[methyl-(2-t...)
Show SMILES CN(CCc1cccs1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C24H30N2OS2/c1-25(14-12-19-8-6-15-28-19)21-9-3-4-10-22(21)26(2)24(27)17-18-7-5-11-23-20(18)13-16-29-23/h5-8,11,13,15-16,21-22H,3-4,9-10,12,14,17H2,1-2H3/t21-,22-/m1/s1
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 81n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018779
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-{2-[methyl-(2-t...)
Show SMILES CN(CCc1cccs1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C24H30N2OS2/c1-25(14-12-19-8-6-15-28-19)21-9-3-4-10-22(21)26(2)24(27)17-18-7-5-11-23-20(18)13-16-29-23/h5-8,11,13,15-16,21-22H,3-4,9-10,12,14,17H2,1-2H3/t21-,22-/m1/s1
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 82n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
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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 86n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018781
PNG
(CHEMBL557426 | N-Methyl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)18(25)12-26-13-10-14(20)19(22)15(21)11-13/h10-11,16-17H,2-9,12H2,1H3/t16-,17-/m1/s1
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 140n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018772
PNG
(CHEMBL535130 | N-Methyl-2-(4-nitro-3-trifluorometh...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C20H26F3N3O4/c1-24(17-6-2-3-7-18(17)25-10-4-5-11-25)19(27)13-30-14-8-9-16(26(28)29)15(12-14)20(21,22)23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 150n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018766
PNG
(2-Benzo[b]thiophen-4-yl-N-[2-(cyclopropylmethyl-me...)
Show SMILES CN(CC1CC1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2OS/c1-23(15-16-10-11-16)19-7-3-4-8-20(19)24(2)22(25)14-17-6-5-9-21-18(17)12-13-26-21/h5-6,9,12-13,16,19-20H,3-4,7-8,10-11,14-15H2,1-2H3/t19-,20-/m1/s1
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 190n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018766
PNG
(2-Benzo[b]thiophen-4-yl-N-[2-(cyclopropylmethyl-me...)
Show SMILES CN(CC1CC1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2OS/c1-23(15-16-10-11-16)19-7-3-4-8-20(19)24(2)22(25)14-17-6-5-9-21-18(17)12-13-26-21/h5-6,9,12-13,16,19-20H,3-4,7-8,10-11,14-15H2,1-2H3/t19-,20-/m1/s1
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 200n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018783
PNG
(CHEMBL539582 | N-[2-(Allyl-methyl-amino)-cyclohexy...)
Show SMILES CN(CC=C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-4-13-22(2)18-9-5-6-10-19(18)23(3)21(24)15-16-8-7-11-20-17(16)12-14-25-20/h4,7-8,11-12,14,18-19H,1,5-6,9-10,13,15H2,2-3H3/t18-,19-/m1/s1
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 210n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018780
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-piperidin-1-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2OS/c1-23(19-9-3-4-10-20(19)24-13-5-2-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3/t19-,20-/m1/s1
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 250n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018774
PNG
(2-(4-Chloro-phenoxy)-N-methyl-N-(2-pyrrolidin-1-yl...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C19H27ClN2O2/c1-21(19(23)14-24-16-10-8-15(20)9-11-16)17-6-2-3-7-18(17)22-12-4-5-13-22/h8-11,17-18H,2-7,12-14H2,1H3/t17-,18-/m1/s1
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 300n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018785
PNG
(2-Benzo[b]thiophen-4-yl-N-(2-diethylamino-cyclohex...)
Show SMILES CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H30N2OS/c1-4-23(5-2)19-11-7-6-10-18(19)22(3)21(24)15-16-9-8-12-20-17(16)13-14-25-20/h8-9,12-14,18-19H,4-7,10-11,15H2,1-3H3/t18-,19-/m1/s1
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 350n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018777
PNG
(CHEMBL556802 | N-Methyl-2-phenoxy-N-(2-pyrrolidin-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C19H28N2O2/c1-20(19(22)15-23-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18-/m1/s1
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 360n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018768
PNG
(CHEMBL556957 | N-(2-Azepan-1-yl-cyclohexyl)-2-(4-c...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C23H35ClN2O2/c1-17-14-19(15-18(2)23(17)24)28-16-22(27)25(3)20-10-6-7-11-21(20)26-12-8-4-5-9-13-26/h14-15,20-21H,4-13,16H2,1-3H3/t20-,21-/m1/s1
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 460n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018764
PNG
(2-(3,4-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O2/c1-22(17-6-2-3-7-18(17)23-10-4-5-11-23)19(24)13-25-14-8-9-15(20)16(21)12-14/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 620n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018773
PNG
(CHEMBL535133 | N-Methyl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccs1
Show InChI InChI=1S/C17H26N2OS/c1-18(17(20)13-14-7-6-12-21-14)15-8-2-3-9-16(15)19-10-4-5-11-19/h6-7,12,15-16H,2-5,8-11,13H2,1H3/t15-,16-/m1/s1
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 720n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018771
PNG
(CHEMBL535801 | N-(2-Azepan-1-yl-cyclohexyl)-N-meth...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C21H28Cl4N2O2/c1-26(15-8-4-5-9-16(15)27-10-6-2-3-7-11-27)18(28)13-29-17-12-14(22)19(23)21(25)20(17)24/h12,15-16H,2-11,13H2,1H3/t15-,16-/m1/s1
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 720n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018788
PNG
(CHEMBL537169 | N-(2-Azepan-1-yl-cyclohexyl)-2-benz...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C23H32N2OS/c1-24(23(26)17-18-9-8-12-22-19(18)13-16-27-22)20-10-4-5-11-21(20)25-14-6-2-3-7-15-25/h8-9,12-13,16,20-21H,2-7,10-11,14-15,17H2,1H3/t20-,21-/m1/s1
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 810n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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 880n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018786
PNG
(CHEMBL538309 | N-(2-Azocan-1-yl-cyclohexyl)-N-meth...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C22H31Cl3N2O2/c1-26(21(28)15-29-16-13-17(23)22(25)18(24)14-16)19-9-5-6-10-20(19)27-11-7-3-2-4-8-12-27/h13-14,19-20H,2-12,15H2,1H3/t19-,20-/m1/s1
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 880n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(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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 880n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018775
PNG
(3-(1H-Indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H31N3O/c1-24(20-10-4-5-11-21(20)25-14-6-7-15-25)22(26)13-12-17-16-23-19-9-3-2-8-18(17)19/h2-3,8-9,16,20-21,23H,4-7,10-15H2,1H3/t20-,21-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018775
PNG
(3-(1H-Indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H31N3O/c1-24(20-10-4-5-11-21(20)25-14-6-7-15-25)22(26)13-12-17-16-23-19-9-3-2-8-18(17)19/h2-3,8-9,16,20-21,23H,4-7,10-15H2,1H3/t20-,21-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018772
PNG
(CHEMBL535130 | N-Methyl-2-(4-nitro-3-trifluorometh...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C20H26F3N3O4/c1-24(17-6-2-3-7-18(17)25-10-4-5-11-25)19(27)13-30-14-8-9-16(26(28)29)15(12-14)20(21,22)23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018777
PNG
(CHEMBL556802 | N-Methyl-2-phenoxy-N-(2-pyrrolidin-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C19H28N2O2/c1-20(19(22)15-23-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018762
PNG
(2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 60 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018762
PNG
(2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018785
PNG
(2-Benzo[b]thiophen-4-yl-N-(2-diethylamino-cyclohex...)
Show SMILES CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H30N2OS/c1-4-23(5-2)19-11-7-6-10-18(19)22(3)21(24)15-16-9-8-12-20-17(16)13-14-25-20/h8-9,12-14,18-19H,4-7,10-11,15H2,1-3H3/t18-,19-/m1/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018774
PNG
(2-(4-Chloro-phenoxy)-N-methyl-N-(2-pyrrolidin-1-yl...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C19H27ClN2O2/c1-21(19(23)14-24-16-10-8-15(20)9-11-16)17-6-2-3-7-18(17)22-12-4-5-13-22/h8-11,17-18H,2-7,12-14H2,1H3/t17-,18-/m1/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018765
PNG
(2-(2,6-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H26Cl2N2O2/c1-22(16-9-2-3-10-17(16)23-11-4-5-12-23)18(24)13-25-19-14(20)7-6-8-15(19)21/h6-8,16-17H,2-5,9-13H2,1H3/t16-,17-/m1/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018780
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-piperidin-1-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2OS/c1-23(19-9-3-4-10-20(19)24-13-5-2-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3/t19-,20-/m1/s1
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 2.40E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018763
PNG
(2-(1H-Indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-23(19-10-4-5-11-20(19)24-12-6-7-13-24)21(25)14-16-15-22-18-9-3-2-8-17(16)18/h2-3,8-9,15,19-20,22H,4-7,10-14H2,1H3/t19-,20-/m1/s1
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 2.90E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018762
PNG
(2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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 3.30E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018784
PNG
(CHEMBL559217 | N-(2-Azepan-1-yl-cyclohexyl)-2-benz...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C23H32N2O2/c1-24(23(26)17-18-9-8-12-22-19(18)13-16-27-22)20-10-4-5-11-21(20)25-14-6-2-3-7-15-25/h8-9,12-13,16,20-21H,2-7,10-11,14-15,17H2,1H3/t20-,21-/m1/s1
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 3.50E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018767
PNG
(CHEMBL535581 | N-(2-Azocan-1-yl-cyclohexyl)-N-meth...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C22H30Cl4N2O2/c1-27(19(29)14-30-18-13-15(23)20(24)22(26)21(18)25)16-9-5-6-10-17(16)28-11-7-3-2-4-8-12-28/h13,16-17H,2-12,14H2,1H3/t16-,17-/m1/s1
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 3.60E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018765
PNG
(2-(2,6-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H26Cl2N2O2/c1-22(16-9-2-3-10-17(16)23-11-4-5-12-23)18(24)13-25-19-14(20)7-6-8-15(19)21/h6-8,16-17H,2-5,9-13H2,1H3/t16-,17-/m1/s1
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 4.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM83436
PNG
(2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(1...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
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 6.40E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018776
PNG
(CHEMBL537615 | N-(2-Azepan-1-yl-cyclohexyl)-2-(3,5...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H30Cl2N2O2/c1-24(21(26)15-27-18-13-16(22)12-17(23)14-18)19-8-4-5-9-20(19)25-10-6-2-3-7-11-25/h12-14,19-20H,2-11,15H2,1H3/t19-,20-/m1/s1
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 7.90E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50018787
PNG
(CHEMBL535803 | N-Methyl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)18(25)12-26-19-14(21)10-13(20)11-15(19)22/h10-11,16-17H,2-9,12H2,1H3/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018787
PNG
(CHEMBL535803 | N-Methyl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)18(25)12-26-19-14(21)10-13(20)11-15(19)22/h10-11,16-17H,2-9,12H2,1H3/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50018773
PNG
(CHEMBL535133 | N-Methyl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccs1
Show InChI InChI=1S/C17H26N2OS/c1-18(17(20)13-14-7-6-12-21-14)15-8-2-3-9-16(15)19-10-4-5-11-19/h6-7,12,15-16H,2-5,8-11,13H2,1H3/t15-,16-/m1/s1
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 1.80E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1

J Med Chem 31: 831-6 (1988)


BindingDB Entry DOI: 10.7270/Q2R78FSK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%