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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'schmidtke' and Initial = 'ku'   
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
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331292
PNG
((+/-)-cis-3-(4-Phenylcyclohexyl)-2,3,4,5-tetrahydr...)
Show SMILES OC1CN(CCc2cc(O)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:13.14,16.21,(-4.14,-13.16,;-3.76,-14.6,;-2.25,-14.86,;-1.49,-16.27,;-2.13,-17.71,;-3.65,-18.07,;-4.93,-17.07,;-6.22,-17.81,;-7.52,-17.06,;-8.8,-17.82,;-7.52,-15.59,;-6.24,-14.84,;-4.94,-15.57,;.12,-16.27,;.92,-17.66,;2.52,-17.66,;3.33,-16.28,;2.52,-14.88,;.91,-14.88,;4.86,-16.28,;5.63,-17.62,;7.17,-17.63,;7.94,-16.29,;7.17,-14.95,;5.63,-14.95,)|
Show InChI InChI=1S/C22H27NO2/c24-20-10-11-21-18(14-20)12-13-23(15-22(21)25)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-5,10-11,14,17,19,22,24-25H,6-9,12-13,15H2/t17-,19+,22?
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3.30n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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5.40n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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6.30n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331318
PNG
((+/-)-trans-3-(4-Phenylcyclohexyl)-2,3,4,5-tetrahy...)
Show SMILES OC1CN(CCc2cc(O)ccc12)[C@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.21,wD:13.14,(16.06,-12.53,;16.44,-13.97,;17.95,-14.23,;18.71,-15.64,;18.07,-17.08,;16.55,-17.44,;15.27,-16.44,;13.98,-17.18,;12.68,-16.43,;11.4,-17.19,;12.68,-14.96,;13.96,-14.21,;15.26,-14.94,;20.32,-15.64,;21.12,-17.03,;22.72,-17.03,;23.53,-15.65,;22.72,-14.25,;21.11,-14.25,;25.06,-15.65,;25.83,-16.99,;27.37,-17,;28.14,-15.66,;27.37,-14.32,;25.83,-14.32,)|
Show InChI InChI=1S/C22H27NO2/c24-20-10-11-21-18(14-20)12-13-23(15-22(21)25)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-5,10-11,14,17,19,22,24-25H,6-9,12-13,15H2/t17-,19-,22?
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9n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331306
PNG
(CHEMBL1289057 | cis-7-(Benzyloxy)-3-(4-phenylcyclo...)
Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:20.22,23.29,(-.38,6.74,;-0,5.31,;1.51,5.06,;2.27,3.64,;1.62,2.21,;.11,1.85,;-1.16,2.84,;-2.46,2.1,;-3.74,2.84,;-5.03,2.1,;-6.31,2.84,;-7.59,2.09,;-8.88,2.83,;-10.16,2.08,;-10.16,.6,;-8.88,-.15,;-7.59,.6,;-3.75,4.32,;-2.48,5.07,;-1.18,4.34,;3.86,3.63,;4.66,2.24,;6.26,2.23,;7.08,3.61,;6.29,5.01,;4.67,5.02,;8.68,3.59,;9.46,2.19,;11.06,2.17,;11.88,3.56,;11.08,4.96,;9.48,4.96,)|
Show InChI InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2/t24-,26+,29?
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10n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331291
PNG
((+/-)-3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-be...)
Show SMILES OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
Show InChI InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2
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14n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331312
PNG
((+/-)-3-(3-Phenoxypropyl)-2,3,4,5-tetrahydro-1H-3-...)
Show SMILES OC1CN(CCCOc2ccccc2)CCc2cc(O)ccc12
Show InChI InChI=1S/C19H23NO3/c21-16-7-8-18-15(13-16)9-11-20(14-19(18)22)10-4-12-23-17-5-2-1-3-6-17/h1-3,5-8,13,19,21-22H,4,9-12,14H2
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20n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331319
PNG
((+/-)-4-(1,7-Dihydroxy-2,3,4,5-tetrahydro-1H-3-ben...)
Show SMILES OC1CN(CCCC(=O)c2ccc(F)cc2)CCc2cc(O)ccc12
Show InChI InChI=1S/C20H22FNO3/c21-16-5-3-14(4-6-16)19(24)2-1-10-22-11-9-15-12-17(23)7-8-18(15)20(25)13-22/h3-8,12,20,23,25H,1-2,9-11,13H2
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36n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331297
PNG
((+/-)-7-Benzyloxy-3-[3-(phenysulfonyl)propyl]-2,3,...)
Show SMILES OC1CN(CCCS(=O)(=O)c2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C26H29NO4S/c28-26-19-27(15-7-17-32(29,30)24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)31-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2
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37n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331296
PNG
((+/-)-7-Benzyloxy-3-(3-phenoxypropyl)-2,3,4,5-tetr...)
Show SMILES OC1CN(CCCSc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C26H29NO2S/c28-26-19-27(15-7-17-30-24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)29-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2
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41n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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89n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331295
PNG
((+/-)-7-(benzyloxy)-3-(3-phenoxypropyl)-2,3,4,5-te...)
Show SMILES OC1CN(CCCOc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C26H29NO3/c28-26-19-27(15-7-17-29-23-10-5-2-6-11-23)16-14-22-18-24(12-13-25(22)26)30-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2
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93n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331292
PNG
((+/-)-cis-3-(4-Phenylcyclohexyl)-2,3,4,5-tetrahydr...)
Show SMILES OC1CN(CCc2cc(O)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:13.14,16.21,(-4.14,-13.16,;-3.76,-14.6,;-2.25,-14.86,;-1.49,-16.27,;-2.13,-17.71,;-3.65,-18.07,;-4.93,-17.07,;-6.22,-17.81,;-7.52,-17.06,;-8.8,-17.82,;-7.52,-15.59,;-6.24,-14.84,;-4.94,-15.57,;.12,-16.27,;.92,-17.66,;2.52,-17.66,;3.33,-16.28,;2.52,-14.88,;.91,-14.88,;4.86,-16.28,;5.63,-17.62,;7.17,-17.63,;7.94,-16.29,;7.17,-14.95,;5.63,-14.95,)|
Show InChI InChI=1S/C22H27NO2/c24-20-10-11-21-18(14-20)12-13-23(15-22(21)25)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-5,10-11,14,17,19,22,24-25H,6-9,12-13,15H2/t17-,19+,22?
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123n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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125n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331306
PNG
(CHEMBL1289057 | cis-7-(Benzyloxy)-3-(4-phenylcyclo...)
Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:20.22,23.29,(-.38,6.74,;-0,5.31,;1.51,5.06,;2.27,3.64,;1.62,2.21,;.11,1.85,;-1.16,2.84,;-2.46,2.1,;-3.74,2.84,;-5.03,2.1,;-6.31,2.84,;-7.59,2.09,;-8.88,2.83,;-10.16,2.08,;-10.16,.6,;-8.88,-.15,;-7.59,.6,;-3.75,4.32,;-2.48,5.07,;-1.18,4.34,;3.86,3.63,;4.66,2.24,;6.26,2.23,;7.08,3.61,;6.29,5.01,;4.67,5.02,;8.68,3.59,;9.46,2.19,;11.06,2.17,;11.88,3.56,;11.08,4.96,;9.48,4.96,)|
Show InChI InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2/t24-,26+,29?
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139n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331311
PNG
((+/-)-4-(7-Benzyloxy-1-hydroxy-2,3,4,5-tetrahydro-...)
Show SMILES OC1CN(CCCC(=O)c2ccc(F)cc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H28FNO3/c28-23-10-8-21(9-11-23)26(30)7-4-15-29-16-14-22-17-24(12-13-25(22)27(31)18-29)32-19-20-5-2-1-3-6-20/h1-3,5-6,8-13,17,27,31H,4,7,14-16,18-19H2
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151n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331312
PNG
((+/-)-3-(3-Phenoxypropyl)-2,3,4,5-tetrahydro-1H-3-...)
Show SMILES OC1CN(CCCOc2ccccc2)CCc2cc(O)ccc12
Show InChI InChI=1S/C19H23NO3/c21-16-7-8-18-15(13-16)9-11-20(14-19(18)22)10-4-12-23-17-5-2-1-3-6-17/h1-3,5-8,13,19,21-22H,4,9-12,14H2
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170n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331314
PNG
((+/-)-N-Benzyl-2-(1,7-dihydroxy-2,3,4,5-tetrahydro...)
Show SMILES CN(Cc1ccccc1)C(=O)CN1CCc2cc(O)ccc2C(O)C1
Show InChI InChI=1S/C20H24N2O3/c1-21(12-15-5-3-2-4-6-15)20(25)14-22-10-9-16-11-17(23)7-8-18(16)19(24)13-22/h2-8,11,19,23-24H,9-10,12-14H2,1H3
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172n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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182n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331303
PNG
((+/-)-7-Benzyloxy-3-(1,4-dioxaspiro[4.5]decan-8-yl...)
Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C25H31NO4/c27-24-17-26(21-8-11-25(12-9-21)29-14-15-30-25)13-10-20-16-22(6-7-23(20)24)28-18-19-4-2-1-3-5-19/h1-7,16,21,24,27H,8-15,17-18H2
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183n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331304
PNG
(CHEMBL1290725 | rac-7-Benzyloxy-3-(2-phenyl-1,3-di...)
Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1COC(OC1)c1ccccc1 |(-.41,-42.15,;-.02,-43.6,;1.5,-43.85,;2.27,-45.28,;1.61,-46.73,;.09,-47.1,;-1.21,-46.09,;-2.51,-46.84,;-3.81,-46.08,;-5.11,-46.84,;-6.41,-46.09,;-7.71,-46.85,;-9.01,-46.11,;-10.31,-46.86,;-10.31,-48.36,;-9.01,-49.11,;-7.7,-48.36,;-3.82,-44.59,;-2.53,-43.83,;-1.22,-44.58,;3.89,-45.22,;4.75,-46.6,;6.36,-46.55,;7.13,-45.12,;6.27,-43.73,;4.64,-43.78,;8.75,-45.07,;9.6,-46.45,;11.22,-46.41,;11.99,-44.98,;11.13,-43.59,;9.51,-43.65,)|
Show InChI InChI=1S/C27H29NO4/c29-26-16-28(23-18-31-27(32-19-23)21-9-5-2-6-10-21)14-13-22-15-24(11-12-25(22)26)30-17-20-7-3-1-4-8-20/h1-12,15,23,26-27,29H,13-14,16-19H2
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186n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331294
PNG
((+/-)-7-Benzyloxy-3-(4-phenylbutyl)-2,3,4,5-tetrah...)
Show SMILES OC1CN(CCCCc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H31NO2/c29-27-20-28(17-8-7-11-22-9-3-1-4-10-22)18-16-24-19-25(14-15-26(24)27)30-21-23-12-5-2-6-13-23/h1-6,9-10,12-15,19,27,29H,7-8,11,16-18,20-21H2
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187n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331295
PNG
((+/-)-7-(benzyloxy)-3-(3-phenoxypropyl)-2,3,4,5-te...)
Show SMILES OC1CN(CCCOc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C26H29NO3/c28-26-19-27(15-7-17-29-23-10-5-2-6-11-23)16-14-22-18-24(12-13-25(22)26)30-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2
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193n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331291
PNG
((+/-)-3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-be...)
Show SMILES OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
Show InChI InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2
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194n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331318
PNG
((+/-)-trans-3-(4-Phenylcyclohexyl)-2,3,4,5-tetrahy...)
Show SMILES OC1CN(CCc2cc(O)ccc12)[C@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.21,wD:13.14,(16.06,-12.53,;16.44,-13.97,;17.95,-14.23,;18.71,-15.64,;18.07,-17.08,;16.55,-17.44,;15.27,-16.44,;13.98,-17.18,;12.68,-16.43,;11.4,-17.19,;12.68,-14.96,;13.96,-14.21,;15.26,-14.94,;20.32,-15.64,;21.12,-17.03,;22.72,-17.03,;23.53,-15.65,;22.72,-14.25,;21.11,-14.25,;25.06,-15.65,;25.83,-16.99,;27.37,-17,;28.14,-15.66,;27.37,-14.32,;25.83,-14.32,)|
Show InChI InChI=1S/C22H27NO2/c24-20-10-11-21-18(14-20)12-13-23(15-22(21)25)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-5,10-11,14,17,19,22,24-25H,6-9,12-13,15H2/t17-,19-,22?
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200n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331317
PNG
((+/-)-3-(1-Benzoylpiperidin-4-yl)2,3,4,5-tetrahydr...)
Show SMILES OC1CN(CCc2cc(O)ccc12)C1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c25-19-6-7-20-17(14-19)8-11-24(15-21(20)26)18-9-12-23(13-10-18)22(27)16-4-2-1-3-5-16/h1-7,14,18,21,25-26H,8-13,15H2
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204n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331294
PNG
((+/-)-7-Benzyloxy-3-(4-phenylbutyl)-2,3,4,5-tetrah...)
Show SMILES OC1CN(CCCCc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H31NO2/c29-27-20-28(17-8-7-11-22-9-3-1-4-10-22)18-16-24-19-25(14-15-26(24)27)30-21-23-12-5-2-6-13-23/h1-6,9-10,12-15,19,27,29H,7-8,11,16-18,20-21H2
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293n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331311
PNG
((+/-)-4-(7-Benzyloxy-1-hydroxy-2,3,4,5-tetrahydro-...)
Show SMILES OC1CN(CCCC(=O)c2ccc(F)cc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H28FNO3/c28-23-10-8-21(9-11-23)26(30)7-4-15-29-16-14-22-17-24(12-13-25(22)27(31)18-29)32-19-20-5-2-1-3-6-20/h1-3,5-6,8-13,17,27,31H,4,7,14-16,18-19H2
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293n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331297
PNG
((+/-)-7-Benzyloxy-3-[3-(phenysulfonyl)propyl]-2,3,...)
Show SMILES OC1CN(CCCS(=O)(=O)c2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C26H29NO4S/c28-26-19-27(15-7-17-32(29,30)24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)31-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2
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349n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331296
PNG
((+/-)-7-Benzyloxy-3-(3-phenoxypropyl)-2,3,4,5-tetr...)
Show SMILES OC1CN(CCCSc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C26H29NO2S/c28-26-19-27(15-7-17-30-24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)29-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2
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376n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331302
PNG
((+/-)-N-Benzyl-2-[7-(benzyloxy)-1-hydroxy-2,3,4,5-...)
Show SMILES CN(Cc1ccccc1)C(=O)CN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
Show InChI InChI=1S/C27H30N2O3/c1-28(17-21-8-4-2-5-9-21)27(31)19-29-15-14-23-16-24(12-13-25(23)26(30)18-29)32-20-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-20H2,1H3
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377n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331307
PNG
(CHEMBL1289058 | trans-7-(Benzyloxy)-3-(4-phenylcyc...)
Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:23.29,wD:20.22,(25.44,6.92,;25.82,5.49,;27.33,5.24,;28.09,3.82,;27.44,2.39,;25.93,2.03,;24.66,3.02,;23.36,2.28,;22.08,3.02,;20.8,2.28,;19.51,3.02,;18.23,2.27,;16.94,3.01,;15.66,2.26,;15.66,.78,;16.94,.03,;18.24,.78,;22.07,4.5,;23.34,5.25,;24.65,4.52,;29.69,3.83,;30.49,2.44,;32.1,2.44,;32.9,3.82,;32.1,5.22,;30.48,5.22,;34.5,3.82,;35.29,2.43,;36.9,2.43,;37.7,3.81,;36.89,5.21,;35.29,5.2,)|
Show InChI InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2/t24-,26-,29?
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386n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331307
PNG
(CHEMBL1289058 | trans-7-(Benzyloxy)-3-(4-phenylcyc...)
Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:23.29,wD:20.22,(25.44,6.92,;25.82,5.49,;27.33,5.24,;28.09,3.82,;27.44,2.39,;25.93,2.03,;24.66,3.02,;23.36,2.28,;22.08,3.02,;20.8,2.28,;19.51,3.02,;18.23,2.27,;16.94,3.01,;15.66,2.26,;15.66,.78,;16.94,.03,;18.24,.78,;22.07,4.5,;23.34,5.25,;24.65,4.52,;29.69,3.83,;30.49,2.44,;32.1,2.44,;32.9,3.82,;32.1,5.22,;30.48,5.22,;34.5,3.82,;35.29,2.43,;36.9,2.43,;37.7,3.81,;36.89,5.21,;35.29,5.2,)|
Show InChI InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2/t24-,26-,29?
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388n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331308
PNG
((+/-)-7-(Benzyloxy)-3-[4-(piperidin-1-yl)benzyl]-2...)
Show SMILES OC1CN(Cc2ccc(cc2)N2CCCCC2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C29H34N2O2/c32-29-21-30(20-23-9-11-26(12-10-23)31-16-5-2-6-17-31)18-15-25-19-27(13-14-28(25)29)33-22-24-7-3-1-4-8-24/h1,3-4,7-14,19,29,32H,2,5-6,15-18,20-22H2
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604n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331309
PNG
((+/-)-4-(7-Benzyloxy-1-hydroxy-2,3,4,5-tetrahydro-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
Show InChI InChI=1S/C31H37NO3/c1-31(2,3)26-13-11-24(12-14-26)29(33)10-7-18-32-19-17-25-20-27(15-16-28(25)30(34)21-32)35-22-23-8-5-4-6-9-23/h4-6,8-9,11-16,20,30,34H,7,10,17-19,21-22H2,1-3H3
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644n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331299
PNG
((+/-)-7-(Benzyloxy)-3-{3-[2-(4-methoxyphenyl)-5,5-...)
Show SMILES COc1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1
Show InChI InChI=1S/C33H41NO5/c1-32(2)23-38-33(39-24-32,27-10-12-28(36-3)13-11-27)17-7-18-34-19-16-26-20-29(14-15-30(26)31(35)21-34)37-22-25-8-5-4-6-9-25/h4-6,8-15,20,31,35H,7,16-19,21-24H2,1-3H3
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661n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50331298
PNG
((+/-)-7-(Benzyloxy)-3-{3-[2-(4-tert-butylphenyl)-5...)
Show SMILES CC(C)(C)c1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1
Show InChI InChI=1S/C36H47NO4/c1-34(2,3)29-12-14-30(15-13-29)36(40-25-35(4,5)26-41-36)19-9-20-37-21-18-28-22-31(16-17-32(28)33(38)23-37)39-24-27-10-7-6-8-11-27/h6-8,10-17,22,33,38H,9,18-21,23-26H2,1-5H3
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>1.00E+3n/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]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331317
PNG
((+/-)-3-(1-Benzoylpiperidin-4-yl)2,3,4,5-tetrahydr...)
Show SMILES OC1CN(CCc2cc(O)ccc12)C1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c25-19-6-7-20-17(14-19)8-11-24(15-21(20)26)18-9-12-23(13-10-18)22(27)16-4-2-1-3-5-16/h1-7,14,18,21,25-26H,8-13,15H2
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331315
PNG
((+/-)-3-(1,4-Dioxaspiro[4.5]decan-8-yl)-2,3,4,5-te...)
Show SMILES OC1CN(CCc2cc(O)ccc12)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C18H25NO4/c20-15-1-2-16-13(11-15)5-8-19(12-17(16)21)14-3-6-18(7-4-14)22-9-10-23-18/h1-2,11,14,17,20-21H,3-10,12H2
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331313
PNG
((+/-)-3-[3-(Phenylsulfonyl)propyl]-2,3,4,5-tetrahy...)
Show SMILES OC1CN(CCCS(=O)(=O)c2ccccc2)CCc2cc(O)ccc12
Show InChI InChI=1S/C19H23NO4S/c21-16-7-8-18-15(13-16)9-11-20(14-19(18)22)10-4-12-25(23,24)17-5-2-1-3-6-17/h1-3,5-8,13,19,21-22H,4,9-12,14H2
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331310
PNG
((+/-)-4-(7-Benzyloxy-1-hydroxy-2,3,4,5-tetrahydro-...)
Show SMILES COc1ccc(cc1)C(=O)CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
Show InChI InChI=1S/C28H31NO4/c1-32-24-11-9-22(10-12-24)27(30)8-5-16-29-17-15-23-18-25(13-14-26(23)28(31)19-29)33-20-21-6-3-2-4-7-21/h2-4,6-7,9-14,18,28,31H,5,8,15-17,19-20H2,1H3
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331309
PNG
((+/-)-4-(7-Benzyloxy-1-hydroxy-2,3,4,5-tetrahydro-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
Show InChI InChI=1S/C31H37NO3/c1-31(2,3)26-13-11-24(12-14-26)29(33)10-7-18-32-19-17-25-20-27(15-16-28(25)30(34)21-32)35-22-23-8-5-4-6-9-23/h4-6,8-9,11-16,20,30,34H,7,10,17-19,21-22H2,1-3H3
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331305
PNG
((+/-)-3-(1-Benzoylpiperidin-4-yl)-7-benzyloxy-2,3,...)
Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32N2O3/c32-28-20-31(25-14-17-30(18-15-25)29(33)23-9-5-2-6-10-23)16-13-24-19-26(11-12-27(24)28)34-21-22-7-3-1-4-8-22/h1-12,19,25,28,32H,13-18,20-21H2
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331302
PNG
((+/-)-N-Benzyl-2-[7-(benzyloxy)-1-hydroxy-2,3,4,5-...)
Show SMILES CN(Cc1ccccc1)C(=O)CN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
Show InChI InChI=1S/C27H30N2O3/c1-28(17-21-8-4-2-5-9-21)27(31)19-29-15-14-23-16-24(12-13-25(23)26(30)18-29)32-20-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-20H2,1H3
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331301
PNG
((+/-)-7-(Benzyloxy)-3-(3-phenylbenzyl)-2,3,4,5-tet...)
Show SMILES OC1CN(Cc2cccc(c2)-c2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C30H29NO2/c32-30-21-31(20-24-10-7-13-26(18-24)25-11-5-2-6-12-25)17-16-27-19-28(14-15-29(27)30)33-22-23-8-3-1-4-9-23/h1-15,18-19,30,32H,16-17,20-22H2
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331300
PNG
((+/-)-7-(Benzyloxy)-3-{3-[2-(4-fluorophenyl)-5,5-d...)
Show SMILES CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)(OC1)c1ccc(F)cc1
Show InChI InChI=1S/C32H38FNO4/c1-31(2)22-37-32(38-23-31,26-9-11-27(33)12-10-26)16-6-17-34-18-15-25-19-28(13-14-29(25)30(35)20-34)36-21-24-7-4-3-5-8-24/h3-5,7-14,19,30,35H,6,15-18,20-23H2,1-2H3
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331299
PNG
((+/-)-7-(Benzyloxy)-3-{3-[2-(4-methoxyphenyl)-5,5-...)
Show SMILES COc1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1
Show InChI InChI=1S/C33H41NO5/c1-32(2)23-38-33(39-24-32,27-10-12-28(36-3)13-11-27)17-7-18-34-19-16-26-20-29(14-15-30(26)31(35)21-34)37-22-25-8-5-4-6-9-25/h4-6,8-15,20,31,35H,7,16-19,21-24H2,1-3H3
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>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331298
PNG
((+/-)-7-(Benzyloxy)-3-{3-[2-(4-tert-butylphenyl)-5...)
Show SMILES CC(C)(C)c1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1
Show InChI InChI=1S/C36H47NO4/c1-34(2,3)29-12-14-30(15-13-29)36(40-25-35(4,5)26-41-36)19-9-20-37-21-18-28-22-31(16-17-32(28)33(38)23-37)39-24-27-10-7-6-8-11-27/h6-8,10-17,22,33,38H,9,18-21,23-26H2,1-5H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331316
PNG
((+/-)-trans-3-(2-Phenyl-1,3-dioxan-5-yl)-2,3,4,5-t...)
Show SMILES OC1CN(CCc2cc(O)ccc12)[C@H]1CO[C@@H](OC1)c1ccccc1 |r,wU:16.21,wD:13.14,(30.75,-3.37,;31.13,-4.81,;32.64,-5.06,;33.4,-6.48,;32.76,-7.92,;31.24,-8.29,;29.96,-7.28,;28.66,-8.03,;27.36,-7.28,;26.08,-8.03,;27.36,-5.8,;28.64,-5.05,;29.94,-5.78,;35.01,-6.48,;35.82,-7.87,;37.42,-7.87,;38.23,-6.49,;37.42,-5.09,;35.81,-5.09,;39.76,-6.49,;40.53,-7.83,;42.07,-7.84,;42.85,-6.5,;42.07,-5.16,;40.53,-5.16,)|
Show InChI InChI=1S/C20H23NO4/c22-17-6-7-18-15(10-17)8-9-21(11-19(18)23)16-12-24-20(25-13-16)14-4-2-1-3-5-14/h1-7,10,16,19-20,22-23H,8-9,11-13H2/t16-,19?,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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 sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
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