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Compile Data Set for Download or QSAR

Found 1037 hits with Last Name = 'robaa' and Initial = 'd'   
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))
BDBM50499215
PNG
(CHEMBL3735947)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O2/c23-22(24)20-13-10-17-8-11-19(12-9-18(17)15-20)21-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,10,13,15,19,21H,4,7-9,11-12,14H2
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1.60n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50551241
PNG
(CHEMBL4746028)
Show SMILES C1Cc2ccccc2CC1N1CCC(CC1)c1ccccc1
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1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50551242
PNG
(CHEMBL4740593)
Show SMILES C(C1CCN(CC1)C1CCc2ccccc2C1)c1ccccc1
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50313917
PNG
(6-Methyl-5,6,7,8,13,15-hexahydro-4H-indolo[4,3a,3-...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(CC1)c23
Show InChI InChI=1S/C20H22N2/c1-22-11-9-15-5-2-3-6-17(15)13-18-14-21-19-8-4-7-16(10-12-22)20(18)19/h2-8,14,21H,9-13H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50551241
PNG
(CHEMBL4746028)
Show SMILES C1Cc2ccccc2CC1N1CCC(CC1)c1ccccc1
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50551246
PNG
(CHEMBL4758763)
Show SMILES C(C1CCN(CC1)C1Cc2ccccc2C1)c1ccccc1
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3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50499214
PNG
(CHEMBL3735485)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCCc1ccccc1
Show InChI InChI=1S/C19H22N2O2/c22-21(23)19-11-8-16-6-9-18(10-7-17(16)14-19)20-13-12-15-4-2-1-3-5-15/h1-5,8,11,14,18,20H,6-7,9-10,12-13H2
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3.30n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50499212
PNG
(CHEMBL3736502)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O2/c24-23(25)21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,11,14,16,20,22H,4-5,8-10,12-13,15H2
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3.80n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50313917
PNG
(6-Methyl-5,6,7,8,13,15-hexahydro-4H-indolo[4,3a,3-...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(CC1)c23
Show InChI InChI=1S/C20H22N2/c1-22-11-9-15-5-2-3-6-17(15)13-18-14-21-19-8-4-7-16(10-12-22)20(18)19/h2-8,14,21H,9-13H2,1H3
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4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313917
PNG
(6-Methyl-5,6,7,8,13,15-hexahydro-4H-indolo[4,3a,3-...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(CC1)c23
Show InChI InChI=1S/C20H22N2/c1-22-11-9-15-5-2-3-6-17(15)13-18-14-21-19-8-4-7-16(10-12-22)20(18)19/h2-8,14,21H,9-13H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50363963
PNG
(CHEMBL1949725)
Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50551245
PNG
(CHEMBL4745685)
Show SMILES C1C(Cc2ccccc12)N1CCC(CC1)c1ccccc1
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50602203
PNG
(CHEMBL5171086)
Show SMILES CCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
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5.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50551242
PNG
(CHEMBL4740593)
Show SMILES C(C1CCN(CC1)C1CCc2ccccc2C1)c1ccccc1
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50363963
PNG
(CHEMBL1949725)
Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
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


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 cortex membranes incubated for 120 mins by solid scintillation counting...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115146
BindingDB Entry DOI: 10.7270/Q2KK9G39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 sigma-1 receptor in guinea pig brain cortex membranes incubated for 120 mins measured for 5 mins by scintil...


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain cortex membranes by scintillation counting analysis


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50499213
PNG
(CHEMBL3735173)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCc1ccccc1
Show InChI InChI=1S/C18H20N2O2/c21-20(22)18-11-8-15-6-9-17(10-7-16(15)12-18)19-13-14-4-2-1-3-5-14/h1-5,8,11-12,17,19H,6-7,9-10,13H2
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7.60n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50551242
PNG
(CHEMBL4740593)
Show SMILES C(C1CCN(CC1)C1CCc2ccccc2C1)c1ccccc1
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50551241
PNG
(CHEMBL4746028)
Show SMILES C1Cc2ccccc2CC1N1CCC(CC1)c1ccccc1
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8.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50007677
PNG
((+)-threo 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy...)
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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10n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
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


TBA

Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
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=1S/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



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
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 GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes incubated for 120 mins measured for 5 m...


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma intracellular receptor 2


(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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>10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50313916
PNG
(7-Methyl-6,7,8,9,10,15-hexahydroindolo[2,3-f][3]be...)
Show SMILES CN1CCc2[nH]c3ccccc3c2Cc2ccccc2CC1
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
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10.3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50363966
PNG
(CHEMBL1949728)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50363966
PNG
(CHEMBL1949728)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1
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11.4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
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 GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes incubated for 120 mins measured for 5 m...


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
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


TBA

Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
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



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50464851
PNG
(CHEMBL4294561)
Show SMILES COc1ccc2[C@H](O)C[C@@H](CCc2c1)NCCCc1ccccc1 |r|
Show InChI InChI=1S/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/t18-,21-/m1/s1
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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 GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50551236
PNG
(CHEMBL4754021)
Show SMILES C(CN1CCCc2ccccc2CC1)Cc1ccccc1
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50499215
PNG
(CHEMBL3735947)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O2/c23-22(24)20-13-10-17-8-11-19(12-9-18(17)15-20)21-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,10,13,15,19,21H,4,7-9,11-12,14H2
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18n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain cortex membranes by scintillation counting analysis


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50499214
PNG
(CHEMBL3735485)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCCc1ccccc1
Show InChI InChI=1S/C19H22N2O2/c22-21(23)19-11-8-16-6-9-18(10-7-17(16)14-19)20-13-12-15-4-2-1-3-5-15/h1-5,8,11,14,18,20H,6-7,9-10,12-13H2
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20n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain cortex membranes by scintillation counting analysis


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50464852
PNG
(CHEMBL4284348)
Show SMILES Oc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
Show InChI InChI=1S/C21H27NO/c23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,11,14,16,20,22-23H,4-5,8-10,12-13,15H2
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21n/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 GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50499213
PNG
(CHEMBL3735173)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCc1ccccc1
Show InChI InChI=1S/C18H20N2O2/c21-20(22)18-11-8-15-6-9-17(10-7-16(15)12-18)19-13-14-4-2-1-3-5-14/h1-5,8,11-12,17,19H,6-7,9-10,13H2
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21n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain cortex membranes by scintillation counting analysis


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50551237
PNG
(CHEMBL4778291)
Show SMILES C(CCc1ccccc1)CN1CCCc2ccccc2CC1
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50499212
PNG
(CHEMBL3736502)
Show SMILES [O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O2/c24-23(25)21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,11,14,16,20,22H,4-5,8-10,12-13,15H2
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24n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain cortex membranes by scintillation counting analysis


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50551245
PNG
(CHEMBL4745685)
Show SMILES C1C(Cc2ccccc12)N1CCC(CC1)c1ccccc1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50504632
PNG
(CHEMBL4561134)
Show SMILES Cl.OC1CC(CCc2ccccc12)NCCCc1ccccc1
Show InChI InChI=1S/C20H25NO.ClH/c22-20-15-18(13-12-17-10-4-5-11-19(17)20)21-14-6-9-16-7-2-1-3-8-16;/h1-5,7-8,10-11,18,20-22H,6,9,12-15H2;1H
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28n/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]di-o-tolylguanidine from sigma2 receptor in rat liver membranes measured after 120 mins by solid scintillation counting method


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115146
BindingDB Entry DOI: 10.7270/Q2KK9G39
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50464853
PNG
(CHEMBL4286654)
Show SMILES Oc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20-13-10-17-8-11-19(12-9-18(17)15-20)21-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,10,13,15,19,21-22H,4,7-9,11-12,14H2
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28n/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 GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50551246
PNG
(CHEMBL4758763)
Show SMILES C(C1CCN(CC1)C1Cc2ccccc2C1)c1ccccc1
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313916
PNG
(7-Methyl-6,7,8,9,10,15-hexahydroindolo[2,3-f][3]be...)
Show SMILES CN1CCc2[nH]c3ccccc3c2Cc2ccccc2CC1
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
28.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50006980
PNG
((3-Phenyl-propyl)-(1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES C(CNC1CCc2ccccc2C1)Cc1ccccc1
Show InChI InChI=1S/C19H23N/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19-20H,6,9,12-15H2
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Article
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50602192
PNG
(CHEMBL5174998)
Show SMILES CCCCCCNNC(=O)c1ccc(cc1)-c1ccc(CNC(C)=O)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
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31n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50551244
PNG
(CHEMBL4800530)
Show SMILES C(CCc1ccccc1)CNC1Cc2ccccc2C1
PDB

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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50464853
PNG
(CHEMBL4286654)
Show SMILES Oc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20-13-10-17-8-11-19(12-9-18(17)15-20)21-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,10,13,15,19,21-22H,4,7-9,11-12,14H2
UniProtKB/SwissProt

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32n/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]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
More data for this
Ligand-Target Pair
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