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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50044950   
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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037706
PNG
(CHEMBL3357791)
Show SMILES C1C[C@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
Show InChI InChI=1/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2/t21-,23+
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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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037705
PNG
(CHEMBL3357790)
Show SMILES C(C1CCN(CC1)C1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C23H29N/c1-2-6-19(7-3-1)18-20-14-16-24(17-15-20)23-12-10-21-8-4-5-9-22(21)11-13-23/h1-9,20,23H,10-18H2
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2.90n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


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

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037705
PNG
(CHEMBL3357790)
Show SMILES C(C1CCN(CC1)C1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C23H29N/c1-2-6-19(7-3-1)18-20-14-16-24(17-15-20)23-12-10-21-8-4-5-9-22(21)11-13-23/h1-9,20,23H,10-18H2
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5.70n/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 sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037707
PNG
(CHEMBL3357792)
Show SMILES C1C[C@@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,wD:2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
Show InChI InChI=1/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2/t21-,23-
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5.70n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
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 f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037703
PNG
(CHEMBL3357788)
Show SMILES C1CN(CCC1c1ccccc1)C1CCc2ccccc2CC1
Show InChI InChI=1S/C22H27N/c1-2-6-18(7-3-1)21-14-16-23(17-15-21)22-12-10-19-8-4-5-9-20(19)11-13-22/h1-9,21-22H,10-17H2
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6.90n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50083351
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES CC(C(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
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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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037709
PNG
(CHEMBL3357784)
Show SMILES COc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1/C21H27NO/c1-23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,14,16,20,22H,5,8-10,12-13,15H2,1H3
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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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037704
PNG
(CHEMBL3357789)
Show SMILES C1CN(CCN1C1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2/c1-2-8-20(9-3-1)22-14-16-23(17-15-22)21-12-10-18-6-4-5-7-19(18)11-13-21/h1-9,21H,10-17H2
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12n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


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

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037706
PNG
(CHEMBL3357791)
Show SMILES C1C[C@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
Show InChI InChI=1/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2/t21-,23+
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14n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
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16n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037708
PNG
(CHEMBL3357783)
Show SMILES COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3
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16n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037702
PNG
(CHEMBL3357787)
Show SMILES C(CCc1ccccc1)CNC1CCc2ccccc2CC1
Show InChI InChI=1S/C21H27N/c1-2-8-18(9-3-1)10-6-7-17-22-21-15-13-19-11-4-5-12-20(19)14-16-21/h1-5,8-9,11-12,21-22H,6-7,10,13-17H2
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17n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037707
PNG
(CHEMBL3357792)
Show SMILES C1C[C@@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,wD:2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
Show InChI InChI=1/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2/t21-,23-
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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 sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037711
PNG
(CHEMBL3357786)
Show SMILES C(Cc1ccccc1)NC1CCc2ccccc2CC1
Show InChI InChI=1S/C19H23N/c1-2-6-16(7-3-1)14-15-20-19-12-10-17-8-4-5-9-18(17)11-13-19/h1-9,19-20H,10-15H2
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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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037703
PNG
(CHEMBL3357788)
Show SMILES C1CN(CCC1c1ccccc1)C1CCc2ccccc2CC1
Show InChI InChI=1S/C22H27N/c1-2-6-18(7-3-1)21-14-16-23(17-15-21)22-12-10-19-8-4-5-9-20(19)11-13-22/h1-9,21-22H,10-17H2
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22n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037711
PNG
(CHEMBL3357786)
Show SMILES C(Cc1ccccc1)NC1CCc2ccccc2CC1
Show InChI InChI=1S/C19H23N/c1-2-6-16(7-3-1)14-15-20-19-12-10-17-8-4-5-9-18(17)11-13-19/h1-9,19-20H,10-15H2
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22n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037709
PNG
(CHEMBL3357784)
Show SMILES COc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1/C21H27NO/c1-23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,14,16,20,22H,5,8-10,12-13,15H2,1H3
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27n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037710
PNG
(CHEMBL3357785)
Show SMILES C(NC1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C18H21N/c1-2-6-15(7-3-1)14-19-18-12-10-16-8-4-5-9-17(16)11-13-18/h1-9,18-19H,10-14H2
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57n/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]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
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 f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037710
PNG
(CHEMBL3357785)
Show SMILES C(NC1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C18H21N/c1-2-6-15(7-3-1)14-19-18-12-10-16-8-4-5-9-17(16)11-13-18/h1-9,18-19H,10-14H2
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107n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50083351
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES CC(C(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
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125n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037708
PNG
(CHEMBL3357783)
Show SMILES COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3
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132n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
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150n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037704
PNG
(CHEMBL3357789)
Show SMILES C1CN(CCN1C1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2/c1-2-8-20(9-3-1)22-14-16-23(17-15-22)21-12-10-18-6-4-5-7-19(18)11-13-21/h1-9,21H,10-17H2
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182n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
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 f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037702
PNG
(CHEMBL3357787)
Show SMILES C(CCc1ccccc1)CNC1CCc2ccccc2CC1
Show InChI InChI=1S/C21H27N/c1-2-8-18(9-3-1)10-6-7-17-22-21-15-13-19-11-4-5-12-20(19)14-16-21/h1-5,8-9,11-12,21-22H,6-7,10,13-17H2
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216n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair