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PubMed code 21481987

Compile data set for download or QSAR
Found 27 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


(Homo sapiens (Human))
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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0.310n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50346474
PNG
((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)
Show SMILES COC(=O)N1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/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/t15-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
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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5.60n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
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



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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65n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50346477
PNG
(CHEMBL1782989 | endo-2-(3,4-dichlorophenyl)-1-(6-(...)
Show SMILES Clc1ccc(CC(=O)N2CCN3CC[C@@H]([C@H]2C3)N2CCCC2)cc1Cl |r|
Show InChI InChI=1S/C19H25Cl2N3O/c20-15-4-3-14(11-16(15)21)12-19(25)24-10-9-22-8-5-17(18(24)13-22)23-6-1-2-7-23/h3-4,11,17-18H,1-2,5-10,12-13H2/t17-,18+/m0/s1
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73n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
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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89n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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150n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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175n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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221n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50346475
PNG
(CHEMBL1782986 | rel-(1RS,2RS,6SR)-7-benzyl-9-(4-me...)
Show SMILES COc1ccc(CN2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1 |TLB:24:13:7.8:16.15,THB:17:16:7.8:13.12.11.10|
Show InChI InChI=1S/C27H37N3O/c1-31-25-14-12-23(13-15-25)19-30-20-24-10-7-11-26(28-16-5-6-17-28)27(30)21-29(24)18-22-8-3-2-4-9-22/h2-4,8-9,12-15,24,26-27H,5-7,10-11,16-21H2,1H3
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238n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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314n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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324n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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333n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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378n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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452n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50346475
PNG
(CHEMBL1782986 | rel-(1RS,2RS,6SR)-7-benzyl-9-(4-me...)
Show SMILES COc1ccc(CN2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1 |TLB:24:13:7.8:16.15,THB:17:16:7.8:13.12.11.10|
Show InChI InChI=1S/C27H37N3O/c1-31-25-14-12-23(13-15-25)19-30-20-24-10-7-11-26(28-16-5-6-17-28)27(30)21-29(24)18-22-8-3-2-4-9-22/h2-4,8-9,12-15,24,26-27H,5-7,10-11,16-21H2,1H3
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531n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50346476
PNG
(CHEMBL1782988 | exo-2-(3,4-dichlorophenyl)-1-(6-(p...)
Show SMILES Clc1ccc(CC(=O)N2CCN3CC[C@H]([C@H]2C3)N2CCCC2)cc1Cl |r|
Show InChI InChI=1S/C19H25Cl2N3O/c20-15-4-3-14(11-16(15)21)12-19(25)24-10-9-22-8-5-17(18(24)13-22)23-6-1-2-7-23/h3-4,11,17-18H,1-2,5-10,12-13H2/t17-,18-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50346472
PNG
(CHEMBL1782985 | rel-(1RS,2RS,6SR)-methyl9-[2-(3,4-...)
Show SMILES COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-14-20-19(25-9-2-3-10-25)6-4-5-16(26)13-27(20)21(28)12-15-7-8-17(23)18(24)11-15/h7-8,11,16,19-20H,2-6,9-10,12-14H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%