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Compile Data Set for Download or QSAR

Found 537 hits with Last Name = 'wŁnsch' and Initial = 'b'   
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))
BDBM50236864
PNG
(CHEMBL4096473)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H27Cl2N3O3/c1-23(2)16-5-4-6-17-19(16)25(10-9-24(17)20(27)28-3)18(26)12-13-7-8-14(21)15(22)11-13/h7-8,11,16-17,19H,4-6,9-10,12H2,1-3H3/t16-,17-,19+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130757
PNG
(CHEMBL3634516)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130757
PNG
(CHEMBL3634516)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236870
PNG
(CHEMBL4064380)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1ccc(c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C23H29ClF3N3O4/c1-34-22(33)29-9-10-30(20(32)12-14-5-6-16(17(24)11-14)23(25,26)27)21-18(3-2-4-19(21)29)28-8-7-15(31)13-28/h5-6,11,15,18-19,21,31H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
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
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



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50389025
PNG
(CHEMBL2064198)
Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2
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0.310n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 22: 4277-84 (2014)


Article DOI: 10.1016/j.bmc.2014.05.033
BindingDB Entry DOI: 10.7270/Q29C702R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236878
PNG
(CHEMBL4084350)
Show SMILES CS(=O)(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H29Cl2N3O3S/c1-30(28,29)26-12-11-25(20(27)14-15-7-8-16(22)17(23)13-15)21-18(5-4-6-19(21)26)24-9-2-3-10-24/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
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
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



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

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane


Bioorg Med Chem 22: 3316-24 (2014)


Article DOI: 10.1016/j.bmc.2014.04.054
BindingDB Entry DOI: 10.7270/Q2DR2X2R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252946
PNG
(1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4...)
Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C19H23NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,18H,8-11,13-14H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 22: 4277-84 (2014)


Article DOI: 10.1016/j.bmc.2014.05.033
BindingDB Entry DOI: 10.7270/Q29C702R
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
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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0.340n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
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
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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0.340n/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]U-69593 from kappa-opoid receptor in guinea pig brain membrane


Bioorg Med Chem 22: 3316-24 (2014)


Article DOI: 10.1016/j.bmc.2014.04.054
BindingDB Entry DOI: 10.7270/Q2DR2X2R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130756
PNG
(CHEMBL3634515)
Show SMILES COC(=O)N1CCN([C@H]2[C@@H](CCC[C@@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236871
PNG
(CHEMBL4069231)
Show SMILES Clc1ccc(CC(=O)N2CCN[C@H]3CCC[C@@H]([C@@H]23)N2CCCC2)cc1Cl
Show InChI InChI=1S/C20H27Cl2N3O/c21-15-7-6-14(12-16(15)22)13-19(26)25-11-8-23-17-4-3-5-18(20(17)25)24-9-1-2-10-24/h6-7,12,17-18,20,23H,1-5,8-11,13H2/t17-,18-,20-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027433
PNG
(CHEMBL603370 | GR-89696)
Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
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
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0.360n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236886
PNG
(CHEMBL4099849)
Show SMILES CCOC(=O)CN1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H33Cl2N3O3/c1-2-32-23(31)16-28-12-13-29(22(30)15-17-8-9-18(25)19(26)14-17)24-20(6-5-7-21(24)28)27-10-3-4-11-27/h8-9,14,20-21,24H,2-7,10-13,15-16H2,1H3/t20-,21-,24+/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236865
PNG
(CHEMBL4095192)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H29Cl2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181060
PNG
(CHEMBL3817940)
Show SMILES O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236874
PNG
(CHEMBL4072961)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](F)C1)C(=O)Cc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H28ClF2N3O3/c1-31-22(30)27-9-10-28(20(29)12-14-5-6-17(25)16(23)11-14)21-18(3-2-4-19(21)27)26-8-7-15(24)13-26/h5-6,11,15,18-19,21H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236875
PNG
(CHEMBL4074031)
Show SMILES CS(=O)(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H29Cl2N3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-16(22)17(23)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring inhibiting the binding of [3H]citalopram to Serotonin transporter in rat brain tissue


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236868
PNG
(CHEMBL4091184)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H30ClN3O4/c1-30-22(29)25-11-12-26(20(28)13-15-5-7-16(23)8-6-15)21-18(3-2-4-19(21)25)24-10-9-17(27)14-24/h5-8,17-19,21,27H,2-4,9-14H2,1H3/t17-,18-,19-,21+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108664
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2
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0.690n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 22: 4277-84 (2014)


Article DOI: 10.1016/j.bmc.2014.05.033
BindingDB Entry DOI: 10.7270/Q29C702R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236872
PNG
(CHEMBL4072972)
Show SMILES COC(=O)CN1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H31Cl2N3O3/c1-31-22(30)15-27-11-12-28(21(29)14-16-7-8-17(24)18(25)13-16)23-19(5-4-6-20(23)27)26-9-2-3-10-26/h7-8,13,19-20,23H,2-6,9-12,14-15H2,1H3/t19-,20-,23+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236879
PNG
(CHEMBL4069149)
Show SMILES O[C@H]1CCN(C1)[C@H]1CCC[C@H]2[C@@H]1N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C24H30ClFN4O5S/c25-19-5-4-16(12-20(19)26)13-23(32)29-9-10-30(36(33,34)15-17-7-11-35-27-17)22-3-1-2-21(24(22)29)28-8-6-18(31)14-28/h4-5,7,11-12,18,21-22,24,31H,1-3,6,8-10,13-15H2/t18-,21-,22-,24+/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236866
PNG
(CHEMBL4061582)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H29ClFN3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-17(24)16(23)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

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
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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0.880n/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]U-69593 from kappa-opoid receptor in guinea pig brain membrane


Bioorg Med Chem 22: 3316-24 (2014)


Article DOI: 10.1016/j.bmc.2014.04.054
BindingDB Entry DOI: 10.7270/Q2DR2X2R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009304
PNG
(CHEMBL3233531)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12
Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50193455
PNG
(CHEMBL3966143)
Show SMILES CN(CCCCN1C(COC1=O)c1ccccc1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3
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0.950n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting method


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023218
PNG
(CHEMBL2435438)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)N(C)CCCc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-18(25(4)15-9-12-19-10-7-6-8-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-5/h6-8,10-11,13-14,16-18H,9,12,15H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236881
PNG
(CHEMBL4094571)
Show SMILES CN(C)S(=O)(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N4O3S/c1-25(2)32(30,31)28-13-12-27(21(29)15-16-8-9-17(23)18(24)14-16)22-19(6-5-7-20(22)28)26-10-3-4-11-26/h8-9,14,19-20,22H,3-7,10-13,15H2,1-2H3/t19-,20-,22+/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

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
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



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236882
PNG
(CHEMBL4096405)
Show SMILES O[C@H]1CCN(C1)[C@H]1CCC[C@H]2[C@@H]1N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H31ClN4O5S/c25-18-6-4-17(5-7-18)14-23(31)28-11-12-29(35(32,33)16-19-9-13-34-26-19)22-3-1-2-21(24(22)28)27-10-8-20(30)15-27/h4-7,9,13,20-22,24,30H,1-3,8,10-12,14-16H2/t20-,21-,22-,24+/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108659
PNG
(1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation counting


Bioorg Med Chem 24: 4045-4055 (2016)


Article DOI: 10.1016/j.bmc.2016.06.046
BindingDB Entry DOI: 10.7270/Q2Q2425D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
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
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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1.20n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-deltorphine from human delta opioid receptor expressed in CHO-K1 cells by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236876
PNG
(CHEMBL4070248)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C22H29F2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissue


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation counting


Bioorg Med Chem 24: 4045-4055 (2016)


Article DOI: 10.1016/j.bmc.2016.06.046
BindingDB Entry DOI: 10.7270/Q2Q2425D
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 22: 4277-84 (2014)


Article DOI: 10.1016/j.bmc.2014.05.033
BindingDB Entry DOI: 10.7270/Q29C702R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236873
PNG
(CHEMBL4099840)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@@H](O)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H29Cl2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18+,19+,21-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from serotonin transporter of rat brain


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236877
PNG
(CHEMBL4064388)
Show SMILES CC(C)OC(=O)CN1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H35Cl2N3O3/c1-17(2)33-24(32)16-29-12-13-30(23(31)15-18-8-9-19(26)20(27)14-18)25-21(6-5-7-22(25)29)28-10-3-4-11-28/h8-9,14,17,21-22,25H,3-7,10-13,15-16H2,1-2H3/t21-,22-,25+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

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
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



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204051
PNG
(CHEMBL3910100)
Show SMILES CC(CCN1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25N/c1-16(11-14-20-12-5-2-6-13-20)18-10-9-17-7-3-4-8-19(17)15-18/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3
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1.5n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig cerebral cortex membranes after 120 mins by scintillation counting analysis


Bioorg Med Chem 25: 11-19 (2017)


Article DOI: 10.1016/j.bmc.2016.10.005
BindingDB Entry DOI: 10.7270/Q23R0VVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236883
PNG
(CHEMBL4092106)
Show SMILES CNC(=O)C(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H30Cl2N4O3/c1-26-22(31)23(32)28-11-12-29(20(30)14-15-7-8-16(24)17(25)13-15)21-18(5-4-6-19(21)28)27-9-2-3-10-27/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3,(H,26,31)/t18-,19-,21+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181297
PNG
(CHEMBL3819489)
Show SMILES O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccccc1
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181054
PNG
(CHEMBL3819146)
Show SMILES O[C@@H]1CC[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1
Show InChI InChI=1S/C21H32N2O/c24-21-12-11-19-15-23(14-18-9-5-2-6-10-18)20(21)16-22(19)13-17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2/t19-,20+,21+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236884
PNG
(CHEMBL4060558)
Show SMILES CS(=O)(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H29ClFN3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-17(23)16(22)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236869
PNG
(CHEMBL4092100)
Show SMILES COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CC[C@H](O)C1)C(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H30ClN3O4/c1-30-22(29)25-10-11-26(20(28)13-15-4-2-5-16(23)12-15)21-18(6-3-7-19(21)25)24-9-8-17(27)14-24/h2,4-5,12,17-19,21,27H,3,6-11,13-14H2,1H3/t17-,18-,19-,21+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


J Med Chem 60: 2526-2551 (2017)

More data for this
Ligand-Target Pair
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