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Compile Data Set for Download or QSAR

Found 52 hits of ic50 for UniProtKB: P34975   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Rattus norvegicus (rat))		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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n/an/a 0.630n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-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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n/an/a 0.640n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]U 69593 from rat recombinant kappa-type opioid receptor expressed in CHO cells

Bioorg Med Chem 24: 1793-810 (2016)


Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7
More data for this
Ligand-Target Pair
Kappa-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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n/an/a 0.680n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Displacement of [3H]U 69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 60: 349-361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01422
BindingDB Entry DOI: 10.7270/Q27M0B6T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359546
PNG
(CHEMBL1927270)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C37H45N7O7/c38-27(19-25-14-16-26(45)17-15-25)34(48)41-28-13-7-8-18-40-32(46)22-29(33(39)47)42-36(50)30(20-23-9-3-1-4-10-23)44-37(51)31(43-35(28)49)21-24-11-5-2-6-12-24/h1-6,9-12,14-17,27-31,45H,7-8,13,18-22,38H2,(H2,39,47)(H,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t27-,28+,29-,30-,31-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001852
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-{2-[(3...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1CNCCCc1ccccc1
Show InChI InChI=1S/C26H37N3O2/c1-19-15-23(30)16-20(2)24(19)17-25(27)26(31)29-14-7-6-12-22(29)18-28-13-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,28,30H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50594837
PNG
(CHEMBL5200728)
Show SMILES CCNC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
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n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304084
PNG
(3-(2-(3-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-7-10-17(13-16)25-20(15-8-6-11-18(26)12-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a 46n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50036787
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(R)-1...)
Show SMILES C[C@@H](NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21?/m1/s1
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n/an/a 221n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001849
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-[2-(3-...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
Show InChI InChI=1S/C26H36N2O3/c1-19-15-23(29)16-20(2)24(19)17-25(27)26(30)28-13-7-6-12-22(28)18-31-14-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,29H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50453625
PNG
(CHEMBL2110229)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C24H33N3O3/c1-16-13-20(28)14-17(2)21(16)15-22(25)24(30)27(4)18(3)23(29)26-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-14,18,22,28H,8,11-12,15,25H2,1-4H3,(H,26,29)/t18-,22+/m1/s1
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n/an/a 316n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001848
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](CNCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H33N3O2/c1-16-12-20(27)13-17(2)21(16)14-22(24)23(28)26-18(3)15-25-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,25,27H,7,10-11,14-15,24H2,1-3H3,(H,26,28)/t18-,22?/m1/s1
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n/an/a 330n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304082
PNG
(3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(c2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-22-19(14-24(4)5)23-25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 341n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304083
PNG
(3-(3-((Dimethylamino)methyl)-5-(2,4-dimethylphenyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(C)cc2C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O/c1-13-8-9-17(14(2)10-13)19-20-18(12-22(3)4)21-23(19)15-6-5-7-16(24)11-15/h5-11,24H,12H2,1-4H3
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n/an/a 351n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001850
PNG
((S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50007329
PNG
((R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304076
PNG
(3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-11-17(12-10-16)25-20(15-7-6-8-18(26)13-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a 760n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50036802
PNG
((S)-2-Amino-N-cyclopropylmethyl-3-(4-hydroxy-2,6-d...)
Show SMILES C[C@@H](N(CC1CC1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C27H37N3O3/c1-18-14-23(31)15-19(2)24(18)16-25(28)27(33)30(17-22-11-12-22)20(3)26(32)29-13-7-10-21-8-5-4-6-9-21/h4-6,8-9,14-15,20,22,25,31H,7,10-13,16-17,28H2,1-3H3,(H,29,32)/t20-,25+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50067811
PNG
(7-Ethyl-9-phenyl-6,7,8,9-tetrahydro-5H-10-thia-7-a...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1ccccc1
Show InChI InChI=1S/C20H21NS/c1-2-21-13-12-17-16-10-6-7-11-19(16)22-20(17)18(14-21)15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand

J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001846
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50036790
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl...)
Show SMILES C[C@@H](NC(=O)C(C)(N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C24H33N3O3/c1-16-13-20(28)14-17(2)21(16)15-24(4,25)23(30)27-18(3)22(29)26-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-14,18,28H,8,11-12,15,25H2,1-4H3,(H,26,29)(H,27,30)/t18-,24?/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50453616
PNG
(CHEMBL2110337)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(OCc2ccccc2)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C30H37N3O3/c1-21-17-26(36-20-25-13-8-5-9-14-25)18-22(2)27(21)19-28(31)30(35)33-23(3)29(34)32-16-10-15-24-11-6-4-7-12-24/h4-9,11-14,17-18,23,28H,10,15-16,19-20,31H2,1-3H3,(H,32,34)(H,33,35)/t23-,28+/m1/s1
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n/an/a 2.52E+3n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 3.85E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50067814
PNG
(17-ethyl-(1R,17S)-3,13-diazapentacyclo[13.3.1.02,1...)
Show SMILES CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(O)cc12 |TLB:3:4:7:13.12.11.10,THB:13:6:8.9:2.3,1:2:8.9:6.5,10:8:6.5:2.3|
Show InChI InChI=1S/C19H24N2O/c1-2-12-7-11-8-16-18-14(5-6-21(10-11)19(12)16)15-9-13(22)3-4-17(15)20-18/h3-4,9,11-12,16,19-20,22H,2,5-8,10H2,1H3/t11?,12-,16-,19?/m1/s1
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n/an/a 4.24E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand

J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001851
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(1-met...)
Show SMILES CC(NC(=O)C(N)Cc1c(C)cc(O)cc1C)\C=C\CCCc1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-17-14-21(27)15-18(2)22(17)16-23(25)24(28)26-19(3)10-6-4-7-11-20-12-8-5-9-13-20/h5-6,8-10,12-15,19,23,27H,4,7,11,16,25H2,1-3H3,(H,26,28)/b10-6+
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n/an/a 5.40E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001845
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-hyd...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CO)COCCCc1ccccc1
Show InChI InChI=1S/C23H32N2O4/c1-16-11-20(27)12-17(2)21(16)13-22(24)23(28)25-19(14-26)15-29-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,19,22,26-27H,6,9-10,13-15,24H2,1-2H3,(H,25,28)/t19-,22?/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50450653
PNG
(CHEMBL2115493)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27+,33-/m1/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001853
PNG
(2-Amino-N-(2-fluoro-1-methyl-6-phenyl-hex-2-enyl)-...)
Show SMILES CC(NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(\F)=C\CCCc1ccccc1
Show InChI InChI=1S/C24H31FN2O2/c1-16-13-20(28)14-17(2)21(16)15-23(26)24(29)27-18(3)22(25)12-8-7-11-19-9-5-4-6-10-19/h4-6,9-10,12-14,18,23,28H,7-8,11,15,26H2,1-3H3,(H,27,29)/b22-12-
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n/an/a 8.00E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.

J Med Chem 35: 223-33 (1992)


BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50071201
PNG
((R)-2-[(R)-2-(2-{(R)-2-[(R)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50071202
PNG
((R)-2-[(R)-2-(2-{(S)-2-[(R)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50071199
PNG
((R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-27(39)23(16-19-8-6-5-7-9-19)33-25(37)17-32-29(42)30(3,4)35-26(38)22(31)15-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17,31H2,1-4H3,(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t22-,23-,24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304081
PNG
((5-(3-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-7-9-16(13-17)21-23-20(15-25(4)5)24-26(21)18-11-8-12-19(14-18)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304080
PNG
((5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-12-10-16(11-13-17)21-23-20(15-25(4)5)24-26(21)18-8-7-9-19(14-18)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304079
PNG
((5-(2,4-Dimethylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(C)cc1C
Show InChI InChI=1S/C20H24N4O/c1-14-9-10-18(15(2)11-14)20-21-19(13-23(3)4)22-24(20)16-7-6-8-17(12-16)25-5/h6-12H,13H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304078
PNG
((1-(3-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-8-11-18(14-17)26-21(23-20(24-26)15-25(4)5)16-9-7-12-19(13-16)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304077
PNG
((1-(4-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-12-18(13-11-17)26-21(23-20(24-26)15-25(4)5)16-8-7-9-19(14-16)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50450656
PNG
(CHEMBL2114469)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50450655
PNG
(CHEMBL2114470)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27-,33-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50450654
PNG
(CHEMBL2115492)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(CCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26-,32+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593

Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50036793
PNG
(2-Amino-3-[4-(4-fluoro-benzyloxy)-2,6-dimethyl-phe...)
Show SMILES C[C@@H](NC(=O)C(N)Cc1c(C)cc(OCc2ccc(F)cc2)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C30H36FN3O3/c1-20-16-26(37-19-24-11-13-25(31)14-12-24)17-21(2)27(20)18-28(32)30(36)34-22(3)29(35)33-15-7-10-23-8-5-4-6-9-23/h4-6,8-9,11-14,16-17,22,28H,7,10,15,18-19,32H2,1-3H3,(H,33,35)(H,34,36)/t22-,28?/m1/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand

J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50067810
PNG
(9-(3,4-Dichloro-phenyl)-7-ethyl-6,7,8,9-tetrahydro...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2NS/c1-2-23-10-9-15-14-5-3-4-6-19(14)24-20(15)16(12-23)13-7-8-17(21)18(22)11-13/h3-8,11,16H,2,9-10,12H2,1H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand

J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50067815
PNG
(7-Ethyl-9-(3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N2O2S/c1-2-21-11-10-17-16-8-3-4-9-19(16)25-20(17)18(13-21)14-6-5-7-15(12-14)22(23)24/h3-9,12,18H,2,10-11,13H2,1H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand

J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50453628
PNG
(CHEMBL2110227)
Show SMILES C[C@@H](NC(=O)[C@H](N)Cc1c(C)cc(OCc2ccccc2)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C30H37N3O3/c1-21-17-26(36-20-25-13-8-5-9-14-25)18-22(2)27(21)19-28(31)30(35)33-23(3)29(34)32-16-10-15-24-11-6-4-7-12-24/h4-9,11-14,17-18,23,28H,10,15-16,19-20,31H2,1-3H3,(H,32,34)(H,33,35)/t23-,28-/m1/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50453629
PNG
(CHEMBL170594)
Show SMILES COc1cc(C)c(C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1
Show InChI InChI=1S/C24H33N3O3/c1-16-13-20(30-4)14-17(2)21(16)15-22(25)24(29)27-18(3)23(28)26-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-14,18,22H,8,11-12,15,25H2,1-4H3,(H,26,28)(H,27,29)/t18-,22+/m1/s1
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n/an/a 1.98E+4n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes

J Med Chem 37: 888-96 (1994)


BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50067809
PNG
(3-Methyl-5-phenyl-1,2,3,4,5,6-hexahydro-azepino[4,...)
Show SMILES CN1CCc2c([nH]c3ccccc23)C(C1)c1ccccc1
Show InChI InChI=1S/C19H20N2/c1-21-12-11-16-15-9-5-6-10-18(15)20-19(16)17(13-21)14-7-3-2-4-8-14/h2-10,17,20H,11-13H2,1H3
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n/an/a 2.12E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand

J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50206577
PNG
(10-methoxyibogamine | CHEMBL222287 | IBOGAINE)
Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9|
Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand

J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50544378
PNG
(CHEMBL4639111)
Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat KOR expressed in CHOK1 cells assessed as inhibition of U50488-induced increase in cAMP accumulation measured after 10 mins...

J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
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