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Compile Data Set for Download or QSAR

Found 139 hits with Last Name = 'maier' and Initial = 'ca'   
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))
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
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
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
Mu-type 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


(Homo sapiens (Human))
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



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


(Homo sapiens (Human))
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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1.14n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
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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1.29n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
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



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


(Homo sapiens (Human))
BDBM50120472
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H22N2O/c22-15-19-14-18-8-4-5-9-20(18)21(24-19)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h1-9,19H,10-14,16H2
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1.54n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108655
PNG
(1'-benzylspiro[1H-isochromene-1,4'-(hexahydropyrid...)
Show SMILES C(N1CCC2(CC1)OC=Cc1ccccc21)c1ccccc1 |c:9|
Show InChI InChI=1S/C20H21NO/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/h1-10,15H,11-14,16H2
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1.90n/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


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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2.10n/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


(Homo sapiens (Human))
BDBM50120470
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES N#CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H22N2O/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,10-12,14-16H2
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2.16n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108660
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C20H23NO2/c22-19-14-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2
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2.17n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120479
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES N#CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H20N2O/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,10-13,15H2
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2.18n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/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
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108660
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C20H23NO2/c22-19-14-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2
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2.20n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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3.20n/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


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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3.60n/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
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120482
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c22-15-19-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)14-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2
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5.66n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108668
PNG
(1'-benzyl-3-ethoxyspiro[3,4-dihydro-1H-isochromene...)
Show SMILES CCOC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO2/c1-2-24-21-16-19-10-6-7-11-20(19)22(25-21)12-14-23(15-13-22)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
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5.80n/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


(Homo sapiens (Human))
BDBM50108669
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO2/c1-24-21-17-19-9-5-6-10-20(19)22(25-21)12-15-23(16-13-22)14-11-18-7-3-2-4-8-18/h2-10,21H,11-17H2,1H3
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6.60n/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


(Homo sapiens (Human))
BDBM50120478
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES OCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c23-16-19-14-18-8-4-5-9-20(18)21(24-19)10-12-22(13-11-21)15-17-6-2-1-3-7-17/h1-9,19,23H,10-16H2
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7.16n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120467
PNG
(2-[1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(h...)
Show SMILES OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H25NO2/c23-15-10-20-18-8-4-5-9-19(18)21(24-20)11-13-22(14-12-21)16-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2
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7.27n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108665
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES OC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C19H21NO2/c21-18-16-8-4-5-9-17(16)19(22-18)10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-9,18,21H,10-14H2
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7.30n/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


(Homo sapiens (Human))
BDBM50108665
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES OC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C19H21NO2/c21-18-16-8-4-5-9-17(16)19(22-18)10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-9,18,21H,10-14H2
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7.33n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120475
PNG
(CHEMBL148009 | ethyl 1'-benzylspiro[1,3-dihydroiso...)
Show SMILES CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3
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8.95n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120481
PNG
(CHEMBL358541 | ethyl 1'-benzylspiro[3,4-dihydro-1H...)
Show SMILES CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)21-16-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
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9.33n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108652
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C24H31NO2/c1-26-23-19-21-12-5-6-13-22(21)24(27-23)14-17-25(18-15-24)16-8-7-11-20-9-3-2-4-10-20/h2-6,9-10,12-13,23H,7-8,11,14-19H2,1H3
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10n/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


(Homo sapiens (Human))
BDBM50120480
PNG
(1'-benzyl-3-ethylspiro[3,4-dihydro-1H-isochromene-...)
Show SMILES CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO/c1-2-20-16-19-10-6-7-11-21(19)22(24-20)12-14-23(15-13-22)17-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3
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11.7n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108670
PNG
(1'-(3-phenylpropyl)spiro[3,4-dihydro-1H-isochromen...)
Show SMILES OC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO2/c24-21-17-19-10-4-5-11-20(19)22(25-21)12-15-23(16-13-22)14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21,24H,6,9,12-17H2
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12n/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


(Homo sapiens (Human))
BDBM50120469
PNG
(2-[1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2
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12.7n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108663
PNG
(3-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(C\C=C\c3ccccc3)CC2)O1
Show InChI InChI=1S/C23H27NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-12,22H,13-18H2,1H3/b10-7+
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13n/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


(Homo sapiens (Human))
BDBM50120471
PNG
(CHEMBL148054 | ethyl 2-[1'-benzylspiro[1,3-dihydro...)
Show SMILES CCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
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15.1n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120477
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H24N2O/c23-13-10-20-16-19-8-4-5-9-21(19)22(25-20)11-14-24(15-12-22)17-18-6-2-1-3-7-18/h1-9,20H,10-12,14-17H2
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15.9n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108658
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C19H19NO2/c21-18-16-8-4-5-9-17(16)19(22-18)10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-9H,10-14H2
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21n/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


(Homo sapiens (Human))
BDBM50108656
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES O=C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C20H21NO2/c22-19-14-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
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29n/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


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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34n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand


J Med Chem 45: 438-48 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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34.2n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108662
PNG
(1'-phenethylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES OC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c23-20-16-18-8-4-5-9-19(18)21(24-20)11-14-22(15-12-21)13-10-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2
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44n/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


(Homo sapiens (Human))
BDBM50120474
PNG
(2-[1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES O=CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H25NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,15,20H,10-14,16-17H2
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55.1n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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63.9n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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64n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine 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


(RAT)
BDBM50108670
PNG
(1'-(3-phenylpropyl)spiro[3,4-dihydro-1H-isochromen...)
Show SMILES OC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO2/c24-21-17-19-10-4-5-11-20(19)22(25-21)12-15-23(16-13-22)14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21,24H,6,9,12-17H2
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83n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine 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


(Homo sapiens (Human))
BDBM50108661
PNG
(1'-benzyl-3-benzyloxyspiro[3,4-dihydro-1H-isochrom...)
Show SMILES C(OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1
Show InChI InChI=1S/C27H29NO2/c1-3-9-22(10-4-1)20-28-17-15-27(16-18-28)25-14-8-7-13-24(25)19-26(30-27)29-21-23-11-5-2-6-12-23/h1-14,26H,15-21H2
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95n/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


(RAT)
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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100n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine 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


(RAT)
BDBM50108662
PNG
(1'-phenethylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES OC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c23-20-16-18-8-4-5-9-19(18)21(24-20)11-14-22(15-12-21)13-10-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2
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107n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand


J Med Chem 45: 438-48 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102811
PNG
(1-[4-Butyl-2-(1-pyrrolidin-1-yl-ethyl)-piperazin-1...)
Show SMILES CCCCN1CCN(C(C1)[C@@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H33Cl2N3O/c1-3-4-9-25-12-13-27(21(16-25)17(2)26-10-5-6-11-26)22(28)15-18-7-8-19(23)20(24)14-18/h7-8,14,17,21H,3-6,9-13,15-16H2,1-2H3/t17-,21?/m1/s1
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134n/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


(Homo sapiens (Human))
BDBM50120468
PNG
(1N-methyl-2-[1'-benzylspiro[3,4-dihydro-1H-isochro...)
Show SMILES CNCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H30N2O/c1-24-14-11-21-17-20-9-5-6-10-22(20)23(26-21)12-15-25(16-13-23)18-19-7-3-2-4-8-19/h2-10,21,24H,11-18H2,1H3
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148n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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164n/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
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