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PubMed code 20441176

Compile data set for download or QSAR
Found 76 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))
BDBM50316622
PNG
((S)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((S)...)
Show SMILES COC(=O)N1CCN([C@@H](C1)[C@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
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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0.310n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027433
PNG
(CHEMBL603370 | GR-89696)
Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)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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0.970n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316615
PNG
((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1
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1n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
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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1.5n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316621
PNG
((R)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((R)...)
Show SMILES COC(=O)N1CCN([C@H](C1)[C@@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.90n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316615
PNG
((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1
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6n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316619
PNG
((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m1/s1
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8.70n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316611
PNG
((+)-1-{(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m1/s1
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13n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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15n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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61n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316619
PNG
((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m1/s1
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70n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316613
PNG
((1S,2S,5R)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m1/s1
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80n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316611
PNG
((+)-1-{(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m1/s1
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120n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl977 from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316615
PNG
((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1
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140n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316616
PNG
((-)-Methyl(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m0/s1
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150n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316618
PNG
((-)-1-[(1R,2R,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m0/s1
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152n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316617
PNG
((+)-1-[(1S,2S,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m1/s1
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180n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316618
PNG
((-)-1-[(1R,2R,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m0/s1
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198n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316617
PNG
((+)-1-[(1S,2S,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m1/s1
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421n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316620
PNG
((-)-1-[(1R,2S,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m0/s1
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433n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316612
PNG
((-)-1-{(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m0/s1
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464n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316619
PNG
((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m1/s1
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470n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316614
PNG
((1R,2R,5S)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m0/s1
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515n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316611
PNG
((+)-1-{(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m1/s1
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650n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316613
PNG
((1S,2S,5R)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m1/s1
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850n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316618
PNG
((-)-1-[(1R,2R,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m0/s1
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920n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316616
PNG
((-)-Methyl(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316619
PNG
((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316615
PNG
((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316609
PNG
((+)-1-{(1S,2S,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316613
PNG
((1S,2S,5R)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316612
PNG
((-)-1-{(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316620
PNG
((-)-1-[(1R,2S,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316610
PNG
((-)-1-{(1R,2R,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316610
PNG
((-)-1-{(1R,2R,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316618
PNG
((-)-1-[(1R,2R,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316615
PNG
((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316616
PNG
((-)-Methyl(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316612
PNG
((-)-1-{(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316614
PNG
((1R,2R,5S)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316609
PNG
((+)-1-{(1S,2S,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316614
PNG
((1R,2R,5S)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316610
PNG
((-)-1-{(1R,2R,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316616
PNG
((-)-Methyl(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316610
PNG
((-)-1-{(1R,2R,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316614
PNG
((1R,2R,5S)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316614
PNG
((1R,2R,5S)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316609
PNG
((+)-1-{(1S,2S,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316612
PNG
((-)-1-{(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316609
PNG
((+)-1-{(1S,2S,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316612
PNG
((-)-1-{(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316611
PNG
((+)-1-{(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316620
PNG
((-)-1-[(1R,2S,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316609
PNG
((+)-1-{(1S,2S,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316620
PNG
((-)-1-[(1R,2S,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50316610
PNG
((-)-1-{(1R,2R,5S)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316616
PNG
((-)-Methyl(1R,2S,5S)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316620
PNG
((-)-1-[(1R,2S,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m0/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316611
PNG
((+)-1-{(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316613
PNG
((1S,2S,5R)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316619
PNG
((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50316617
PNG
((+)-1-[(1S,2S,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m1/s1
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Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316618
PNG
((-)-1-[(1R,2R,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316617
PNG
((+)-1-[(1S,2S,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m1/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50316617
PNG
((+)-1-[(1S,2S,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50316613
PNG
((1S,2S,5R)-methyl 8-(2-(3,4-dichlorophenyl)acetyl)...)
Show SMILES COC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18+,19+/m1/s1
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6.12E+3n/an/an/an/an/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [(3)H]U69593 from mu opioid receptor


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316615
PNG
((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...)
Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1
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n/an/an/an/a 87n/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316619
PNG
((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...)
Show SMILES Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m1/s1
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n/an/an/an/a 820n/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)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/an/an/a 80n/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50316611
PNG
((+)-1-{(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]...)
Show SMILES CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Show InChI InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19-,20+/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...


J Med Chem 53: 4212-22 (2010)


Article DOI: 10.1021/jm100182p
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%