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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'oberdorf' and Initial = 'c'   
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))
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))
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))
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
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
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))
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))
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


(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
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
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))
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))
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))
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))
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))
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))
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))
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))
BDBM50321802
PNG
((R)-6'-methoxy-1-(3-methylbut-2-enyl)-6',7'-dihydr...)
Show SMILES [#6]-[#8]-[#6@H]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1 |r|
Show InChI InChI=1S/C17H25NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h4-5,11,16H,6-10,12H2,1-3H3/t16-/m1/s1
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1n/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))
BDBM50252722
PNG
(6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piper...)
Show SMILES COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1
Show InChI InChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3
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1n/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))
BDBM50252761
PNG
(6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[...)
Show SMILES [#6]-[#8]-[#6]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1
Show InChI InChI=1S/C17H25NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h4-5,11,16H,6-10,12H2,1-3H3
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1n/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))
BDBM50321756
PNG
((R)-1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperid...)
Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C#N |r|
Show InChI InChI=1S/C20H22N2O2S/c1-23-19-12-18-17(11-16(13-21)25-18)20(24-19)7-9-22(10-8-20)14-15-5-3-2-4-6-15/h2-6,11,19H,7-10,12,14H2,1H3/t19-/m1/s1
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1.10n/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))
BDBM50321755
PNG
((R)-1-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[pipe...)
Show SMILES CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3/t21-/m1/s1
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1.10n/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))
BDBM50321755
PNG
((R)-1-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[pipe...)
Show SMILES CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3/t21-/m1/s1
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1.10n/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))
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



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))
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 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))
BDBM50321761
PNG
((S)-1'-phenethyl-3H-spiro[isobenzofuran-1,4'-piper...)
Show SMILES O[C@H]1OC2(CCN(CCc3ccccc3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C20H23NO2/c22-19-17-8-4-5-9-18(17)20(23-19)11-14-21(15-12-20)13-10-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2/t19-/m0/s1
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1.30n/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]-(+)-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))
BDBM50389029
PNG
(CHEMBL2064184)
Show SMILES COC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C19H22ClNO2S/c1-22-18-12-16-15(11-17(20)24-16)19(23-18)7-9-21(10-8-19)13-14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3
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1.30n/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]-(+)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))
BDBM50321761
PNG
((S)-1'-phenethyl-3H-spiro[isobenzofuran-1,4'-piper...)
Show SMILES O[C@H]1OC2(CCN(CCc3ccccc3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C20H23NO2/c22-19-17-8-4-5-9-18(17)20(23-19)11-14-21(15-12-20)13-10-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2/t19-/m0/s1
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1.30n/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]-(+)-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))
BDBM50389024
PNG
(CHEMBL2064202)
Show SMILES N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C19H20N2OS/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/h1-6,11,16H,7-10,12,14H2
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1.40n/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))
BDBM50321762
PNG
((R)-1'-benzyl-3-methoxyspiro[isochroman-1,4'-piper...)
Show SMILES CO[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
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/t20-/m1/s1
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1.5n/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))
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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1.5n/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))
BDBM50321762
PNG
((R)-1'-benzyl-3-methoxyspiro[isochroman-1,4'-piper...)
Show SMILES CO[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
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/t20-/m1/s1
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1.5n/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))
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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1.5n/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))
BDBM50252763
PNG
(6-Methoxy-1-pentyl-6,7-dihydrospiro[piperidine-4,4...)
Show SMILES CCCCCN1CCC2(CC1)OC(Cc1sccc21)OC
Show InChI InChI=1S/C17H27NO2S/c1-3-4-5-9-18-10-7-17(8-11-18)14-6-12-21-15(14)13-16(19-2)20-17/h6,12,16H,3-5,7-11,13H2,1-2H3
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1.60n/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))
BDBM50389033
PNG
(CHEMBL2064199)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OC=Cc1sccc21 |c:16|
Show InChI InChI=1S/C18H25NOS/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/h6-7,12-13,15H,1-5,8-11,14H2
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1.70n/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))
BDBM50389032
PNG
(CHEMBL2064200)
Show SMILES C(N1CCC2(CC1)OC=Cc1sccc21)c1ccccc1 |c:9|
Show InChI InChI=1S/C18H19NOS/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/h1-7,12-13H,8-11,14H2
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2n/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))
BDBM50252760
PNG
(6'-methoxy-1-(thien-2-ylmethyl)-6',7'-dihydrospiro...)
Show SMILES COC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1
Show InChI InChI=1S/C17H21NO2S2/c1-19-16-11-15-14(4-10-22-15)17(20-16)5-7-18(8-6-17)12-13-3-2-9-21-13/h2-4,9-10,16H,5-8,11-12H2,1H3
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2n/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


(Homo sapiens (Human))
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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2.10n/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
Binding affinity to human sigma 1-type opioid receptor


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))
BDBM50252758
PNG
(3'-methoxy-1-[(4-methoxyphenyl)methyl]-3',4'-dihyd...)
Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1
Show InChI InChI=1S/C20H25NO3S/c1-22-16-5-3-15(4-6-16)14-21-10-8-20(9-11-21)17-7-12-25-18(17)13-19(23-2)24-20/h3-7,12,19H,8-11,13-14H2,1-2H3
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2.20n/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))
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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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]-(+)-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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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]-(+)-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))
BDBM50321785
PNG
(1'-methyl-1-(3-methylbut-2-enyl)-6',7'-dihydro-1'H...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6]-[#6]-c1c2cnn1-[#6]
Show InChI InChI=1S/C16H25N3O/c1-13(2)4-8-19-9-6-16(7-10-19)14-12-17-18(3)15(14)5-11-20-16/h4,12H,5-11H2,1-3H3
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2.30n/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]-(+)-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))
BDBM50321786
PNG
((R)-1-benzyl-2'-(dimethoxymethyl)-6'-methoxy-6',7'...)
Show SMILES COC(OC)c1cc2c(C[C@H](OC)OC22CCN(Cc3ccccc3)CC2)s1 |r|
Show InChI InChI=1S/C22H29NO4S/c1-24-20-14-18-17(13-19(28-18)21(25-2)26-3)22(27-20)9-11-23(12-10-22)15-16-7-5-4-6-8-16/h4-8,13,20-21H,9-12,14-15H2,1-3H3/t20-/m1/s1
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2.30n/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]-(+)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))
BDBM50321785
PNG
(1'-methyl-1-(3-methylbut-2-enyl)-6',7'-dihydro-1'H...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6]-[#6]-c1c2cnn1-[#6]
Show InChI InChI=1S/C16H25N3O/c1-13(2)4-8-19-9-6-16(7-10-19)14-12-17-18(3)15(14)5-11-20-16/h4,12H,5-11H2,1-3H3
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2.30n/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]-(+)-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))
BDBM50252724
PNG
(3-Methoxy-1-(3-phenylpropyl)-6,7-dihydrospiro[pipe...)
Show SMILES COC1Cc2sccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H27NO2S/c1-23-20-16-19-18(9-15-25-19)21(24-20)10-13-22(14-11-21)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9,15,20H,5,8,10-14,16H2,1H3
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2.40n/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))
BDBM50321772
PNG
((R)-3-methoxy-1'-methylspiro[isochroman-1,4'-piper...)
Show SMILES CO[C@H]1Cc2ccccc2C2(CCN(C)CC2)O1 |r|
Show InChI InChI=1S/C15H21NO2/c1-16-9-7-15(8-10-16)13-6-4-3-5-12(13)11-14(17-2)18-15/h3-6,14H,7-11H2,1-2H3/t14-/m1/s1
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2.60n/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 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))
BDBM50321772
PNG
((R)-3-methoxy-1'-methylspiro[isochroman-1,4'-piper...)
Show SMILES CO[C@H]1Cc2ccccc2C2(CCN(C)CC2)O1 |r|
Show InChI InChI=1S/C15H21NO2/c1-16-9-7-15(8-10-16)13-6-4-3-5-12(13)11-14(17-2)18-15/h3-6,14H,7-11H2,1-2H3/t14-/m1/s1
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2.60n/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 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))
BDBM50321758
PNG
((R)-1,2'-dibenzyl-6'-methoxy-6',7'-dihydrospiro[pi...)
Show SMILES CO[C@H]1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C26H29NO2S/c1-28-25-18-24-23(17-22(30-24)16-20-8-4-2-5-9-20)26(29-25)12-14-27(15-13-26)19-21-10-6-3-7-11-21/h2-11,17,25H,12-16,18-19H2,1H3/t25-/m1/s1
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3.20n/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]-(+)-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
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