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Compile Data Set for Download or QSAR

Found 1086 hits with Last Name = 'wünsch' 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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.00500n/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


J Med Chem 56: 9809-19 (2013)


Article DOI: 10.1021/jm400660u
BindingDB Entry DOI: 10.7270/Q2QN688V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50361993
PNG
(CHEMBL1939700)
Show SMILES FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2
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0.140n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting


Bioorg Med Chem 20: 257-69 (2011)


Article DOI: 10.1016/j.bmc.2011.11.002
BindingDB Entry DOI: 10.7270/Q2NG4R2V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50259004
PNG
(1'-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4'pip...)
Show SMILES Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2
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0.180n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis


Bioorg Med Chem 17: 3630-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.060
BindingDB Entry DOI: 10.7270/Q2BZ65XT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50396885
PNG
(CHEMBL2170669)
Show SMILES COC1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C19H23NO2S/c1-21-18-11-16-13-23-14-17(16)19(22-18)7-9-20(10-8-19)12-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
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0.220n/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 membranes after 120 mins by scintillation counting


J Med Chem 55: 8047-65 (2012)


Article DOI: 10.1021/jm300894h
BindingDB Entry DOI: 10.7270/Q2G44RDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50396850
PNG
(CHEMBL2170496)
Show SMILES COC1Cc2c(csc2-c2ccc(cc2)C#N)C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C26H26N2O2S/c1-29-24-15-22-23(18-31-25(22)21-9-7-19(16-27)8-10-21)26(30-24)11-13-28(14-12-26)17-20-5-3-2-4-6-20/h2-10,18,24H,11-15,17H2,1H3
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0.25n/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 membranes after 120 mins by scintillation counting


J Med Chem 55: 8047-65 (2012)


Article DOI: 10.1021/jm300894h
BindingDB Entry DOI: 10.7270/Q2G44RDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252721
PNG
(1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...)
Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C19H29NO2S/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/h7,12,15,18H,2-6,8-11,13-14H2,1H3
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0.290n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252721
PNG
(1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...)
Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C19H29NO2S/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/h7,12,15,18H,2-6,8-11,13-14H2,1H3
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0.290n/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 guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321801
PNG
((R)-1-(cyclohexylmethyl)-6'-methoxy-6',7'-dihydros...)
Show SMILES CO[C@H]1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 |r|
Show InChI InChI=1S/C19H29NO2S/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/h7,12,15,18H,2-6,8-11,13-14H2,1H3/t18-/m1/s1
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0.300n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
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 Universit£t M£nster

Curated by ChEMBL


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


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
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 |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
BindingDB Entry DOI: 10.7270/Q2PZ59RZ
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2PV6KQ5
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
BindingDB Entry DOI: 10.7270/Q2PZ59RZ
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 für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321798
PNG
((R)-1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperid...)
Show SMILES CO[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
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/t18-/m1/s1
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0.320n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
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
BindingDB Entry DOI: 10.7270/Q2PZ59RZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50396883
PNG
(CHEMBL2170667)
Show SMILES C(N1CCC2(CC1)OCCc1cscc21)c1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)12-19-9-7-18(8-10-19)17-14-21-13-16(17)6-11-20-18/h1-5,13-14H,6-12H2
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0.350n/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 membranes after 120 mins by scintillation counting


J Med Chem 55: 8047-65 (2012)


Article DOI: 10.1021/jm300894h
BindingDB Entry DOI: 10.7270/Q2G44RDB
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
BindingDB Entry DOI: 10.7270/Q2PZ59RZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321782
PNG
(1-(cyclohexylmethyl)-1'-phenyl-6',7'-dihydro-1'H-s...)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
Show InChI InChI=1S/C23H31N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16,18H2
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0.430n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321781
PNG
((R)-1-isopropyl-6'-methoxy-1'-phenyl-6',7'-dihydro...)
Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC2)C(C)C)O1 |r|
Show InChI InChI=1S/C20H27N3O2/c1-15(2)22-11-9-20(10-12-22)17-14-21-23(16-7-5-4-6-8-16)18(17)13-19(24-3)25-20/h4-8,14-15,19H,9-13H2,1-3H3/t19-/m1/s1
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0.430n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321782
PNG
(1-(cyclohexylmethyl)-1'-phenyl-6',7'-dihydro-1'H-s...)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
Show InChI InChI=1S/C23H31N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16,18H2
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0.430n/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 guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
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
BindingDB Entry DOI: 10.7270/Q2PV6KQ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Affinity to opioid receptor kappa 1 using [3H]U-69593 as radioligand in homogenates of guinea pig brain membranes


J Med Chem 44: 2814-26 (2001)


BindingDB Entry DOI: 10.7270/Q2SN09NJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50389031
PNG
(CHEMBL2064201)
Show SMILES N#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C19H26N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h6,11,15-16H,1-5,7-10,12,14H2
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0.460n/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 guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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0.470n/an/an/an/an/an/an/an/a



Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


J Med Chem 52: 2126-37 (2009)


Article DOI: 10.1021/jm801522j
BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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0.470n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


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


Bioorg Med Chem 17: 777-93 (2009)


Article DOI: 10.1016/j.bmc.2008.11.043
BindingDB Entry DOI: 10.7270/Q2CF9PX9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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0.470n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


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


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321777
PNG
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)
Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1
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0.490n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
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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0.490n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321776
PNG
(CHEMBL1172688 | rac-1'-butyl-3-methoxyspiro[isochr...)
Show SMILES CCCCN1CCC[C@@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
Show InChI InChI=1S/C18H27NO2/c1-3-4-11-19-12-7-10-18(14-19)16-9-6-5-8-15(16)13-17(20-2)21-18/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3/t17-,18-/m0/s1
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0.490n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
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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0.490n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Affinity to opioid receptor kappa 1 using [3H]U-69593 as radioligand in homogenates of guinea pig brain membranes


J Med Chem 44: 2814-26 (2001)


BindingDB Entry DOI: 10.7270/Q2SN09NJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321777
PNG
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)
Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 16: 2992-3001 (2008)


Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353612
PNG
(CHEMBL1829574)
Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C24H33N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h3,6-7,10-11,17,19,23H,2,4-5,8-9,12-16,18H2,1H3
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0.550n/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 guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50334161
PNG
(1'-(4-fluorobenzyl)-3-(2-fluoroethyl)-3H-spiro[iso...)
Show SMILES FCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H23F2NO/c22-12-9-20-18-3-1-2-4-19(18)21(25-20)10-13-24(14-11-21)15-16-5-7-17(23)8-6-16/h1-8,20H,9-15H2
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0.570n/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 sigma1 receptor in guinea pig brain membrane by scintillation counting


Bioorg Med Chem 19: 393-405 (2011)


Article DOI: 10.1016/j.bmc.2010.11.013
BindingDB Entry DOI: 10.7270/Q23F4PWG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50299285
PNG
(1'-Cyclohexylmethyl-3-(3-fluoropropyl)-3H-spiro[[2...)
Show SMILES FCCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C22H32FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h4-5,9-10,18,21H,1-3,6-8,11-17H2
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0.570n/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 membrane after 180 mins by scintillation counting


J Med Chem 52: 6062-72 (2009)


Article DOI: 10.1021/jm900909e
BindingDB Entry DOI: 10.7270/Q2KH0ND9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50334158
PNG
(1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...)
Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2
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0.590n/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 sigma1 receptor in guinea pig brain membrane by scintillation counting


Bioorg Med Chem 19: 393-405 (2011)


Article DOI: 10.1016/j.bmc.2010.11.013
BindingDB Entry DOI: 10.7270/Q23F4PWG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50334158
PNG
(1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...)
Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2
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0.590n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting


Bioorg Med Chem 20: 257-69 (2011)


Article DOI: 10.1016/j.bmc.2011.11.002
BindingDB Entry DOI: 10.7270/Q2NG4R2V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252759
PNG
(1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[pipe...)
Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1
Show InChI InChI=1S/C19H22FNO2S/c1-22-18-12-17-16(6-11-24-17)19(23-18)7-9-21(10-8-19)13-14-2-4-15(20)5-3-14/h2-6,11,18H,7-10,12-13H2,1H3
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0.620n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321753
PNG
(1-(cyclohexylmethyl)-6',7'-dihydrospiro[piperidine...)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1sccc21
Show InChI InChI=1S/C18H27NOS/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/h7,13,15H,1-6,8-12,14H2
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0.660n/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 guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321790
PNG
((R)-(1-benzyl-6',7'-dihydrospiro[piperidine-4,4'-t...)
Show SMILES OC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C19H23NO2S/c21-14-16-12-18-17(6-11-23-18)19(22-16)7-9-20(10-8-19)13-15-4-2-1-3-5-15/h1-6,11,16,21H,7-10,12-14H2/t16-/m1/s1
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0.660n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321809
PNG
((S)-1-(1-benzyl-6',7'-dihydrospiro[piperidine-4,4'...)
Show SMILES CC(=O)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C21H25NO2S/c1-16(23)13-18-14-20-19(7-12-25-20)21(24-18)8-10-22(11-9-21)15-17-5-3-2-4-6-17/h2-7,12,18H,8-11,13-15H2,1H3/t18-/m0/s1
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0.660n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321753
PNG
(1-(cyclohexylmethyl)-6',7'-dihydrospiro[piperidine...)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1sccc21
Show InChI InChI=1S/C18H27NOS/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/h7,13,15H,1-6,8-12,14H2
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0.660n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(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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0.680n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(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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0.680n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Affinity to mu-receptor, using [3H]DAMGO as radioligand in homogenates of guinea pig brain membranes


J Med Chem 44: 2814-26 (2001)


BindingDB Entry DOI: 10.7270/Q2SN09NJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
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



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand.


J Med Chem 45: 438-48 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50334163
PNG
(1'-(Cyclohexylmethyl)-3-(2-fluoroethyl)-3H-spiro[[...)
Show SMILES FCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C21H30FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h4-5,8-9,17,20H,1-3,6-7,10-16H2
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0.710n/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 sigma1 receptor in guinea pig brain membrane by scintillation counting


Bioorg Med Chem 19: 393-405 (2011)


Article DOI: 10.1016/j.bmc.2010.11.013
BindingDB Entry DOI: 10.7270/Q23F4PWG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50361998
PNG
(CHEMBL1939698)
Show SMILES FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2
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0.740n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting


Bioorg Med Chem 20: 257-69 (2011)


Article DOI: 10.1016/j.bmc.2011.11.002
BindingDB Entry DOI: 10.7270/Q2NG4R2V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50259001
PNG
(1'-(4-Fluorobenzyl)-3-methoxy-3H-spiro[[2]benzofur...)
Show SMILES COC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H22FNO2/c1-23-19-17-4-2-3-5-18(17)20(24-19)10-12-22(13-11-20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis


Bioorg Med Chem 17: 3630-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.060
BindingDB Entry DOI: 10.7270/Q2BZ65XT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321792
PNG
(1'-methyl-1-(3-phenylpropyl)-6',7'-dihydro-1'H-spi...)
Show SMILES Cn1ncc2c1CCOC21CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C20H27N3O/c1-22-19-9-15-24-20(18(19)16-21-22)10-13-23(14-11-20)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3
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0.810n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321793
PNG
(1'-phenyl-1-(3-phenylpropyl)-6',7'-dihydro-1'H-spi...)
Show SMILES C(CN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2
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0.810n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321793
PNG
(1'-phenyl-1-(3-phenylpropyl)-6',7'-dihydro-1'H-spi...)
Show SMILES C(CN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2
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0.810n/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 guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
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