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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50013008   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396352
PNG
(CHEMBL2170062)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562054
PNG
(CHEMBL4781384)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


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


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562053
PNG
(CHEMBL4754019)
Show SMILES O=c1ccoc2ccc(OCCCCN3CCOCC3)cc12
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562062
PNG
(CHEMBL4754186)
Show SMILES O=c1ccoc2ccc(OCCCN3CCCCCC3)cc12
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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562048
PNG
(CHEMBL4778747)
Show SMILES O=c1ccoc2ccc(OCCCN3CCCCC3)cc12
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66n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562057
PNG
(CHEMBL4751000)
Show SMILES CN1CCN(CCCCCOc2ccc3occc(=O)c3c2)CC1
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83n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562046
PNG
(CHEMBL4778990)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12
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87n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562063
PNG
(CHEMBL4799641)
Show SMILES C[C@@H]1CCCN1CCCCOc1ccc2occc(=O)c2c1 |r|
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104n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562061
PNG
(CHEMBL4783222)
Show SMILES O=c1ccoc2ccc(OCCN3CCCCCC3)cc12
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113n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562064
PNG
(CHEMBL4781625)
Show SMILES C[C@@H]1CCCN1CCCCCOc1ccc2occc(=O)c2c1 |r|
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134n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562050
PNG
(CHEMBL4780620)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCCC3)cc12
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213n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562060
PNG
(CHEMBL4765193)
Show SMILES CCN(CC)CCCCCOc1ccc2occc(=O)c2c1
PDB

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218n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562045
PNG
(CHEMBL4780719)
Show SMILES O=c1ccoc2ccc(OCCCCN3CCCC3)cc12
PDB

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227n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562052
PNG
(CHEMBL4779372)
Show SMILES O=c1ccoc2ccc(OCCCN3CCOCC3)cc12
PDB

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245n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562049
PNG
(CHEMBL4776765)
Show SMILES O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12
PDB

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309n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562050
PNG
(CHEMBL4780620)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCCC3)cc12
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490n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562044
PNG
(CHEMBL4765152)
Show SMILES O=c1ccoc2ccc(OCCCN3CCCC3)cc12
PDB

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499n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562064
PNG
(CHEMBL4781625)
Show SMILES C[C@@H]1CCCN1CCCCCOc1ccc2occc(=O)c2c1 |r|
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583n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562055
PNG
(CHEMBL4779000)
Show SMILES CN1CCN(CCOc2ccc3occc(=O)c3c2)CC1
PDB

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604n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562062
PNG
(CHEMBL4754186)
Show SMILES O=c1ccoc2ccc(OCCCN3CCCCCC3)cc12
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750n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562056
PNG
(CHEMBL4760964)
Show SMILES CN1CCN(CCCOc2ccc3occc(=O)c3c2)CC1
PDB

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809n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562047
PNG
(CHEMBL4789695)
Show SMILES O=c1ccoc2ccc(OCCN3CCCCC3)cc12
PDB

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825n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562063
PNG
(CHEMBL4799641)
Show SMILES C[C@@H]1CCCN1CCCCOc1ccc2occc(=O)c2c1 |r|
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1.09E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562059
PNG
(CHEMBL4794779)
Show SMILES CCN(CC)CCCOc1ccc2occc(=O)c2c1
PDB

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1.22E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562046
PNG
(CHEMBL4778990)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12
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1.45E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562061
PNG
(CHEMBL4783222)
Show SMILES O=c1ccoc2ccc(OCCN3CCCCCC3)cc12
UniProtKB/SwissProt

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1.62E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562049
PNG
(CHEMBL4776765)
Show SMILES O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12
UniProtKB/SwissProt

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1.97E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562060
PNG
(CHEMBL4765193)
Show SMILES CCN(CC)CCCCCOc1ccc2occc(=O)c2c1
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2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562054
PNG
(CHEMBL4781384)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12
UniProtKB/SwissProt

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Article
PubMed
2.63E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562043
PNG
(CHEMBL4778900)
Show SMILES O=c1ccoc2ccc(OCCN3CCCC3)cc12
PDB

UniProtKB/SwissProt

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2.87E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562048
PNG
(CHEMBL4778747)
Show SMILES O=c1ccoc2ccc(OCCCN3CCCCC3)cc12
UniProtKB/SwissProt

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2.89E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562045
PNG
(CHEMBL4780719)
Show SMILES O=c1ccoc2ccc(OCCCCN3CCCC3)cc12
UniProtKB/SwissProt

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3.11E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562057
PNG
(CHEMBL4751000)
Show SMILES CN1CCN(CCCCCOc2ccc3occc(=O)c3c2)CC1
UniProtKB/SwissProt

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4.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562059
PNG
(CHEMBL4794779)
Show SMILES CCN(CC)CCCOc1ccc2occc(=O)c2c1
UniProtKB/SwissProt

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8.36E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562047
PNG
(CHEMBL4789695)
Show SMILES O=c1ccoc2ccc(OCCN3CCCCC3)cc12
UniProtKB/SwissProt

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9.07E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50396352
PNG
(CHEMBL2170062)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
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PubMed
9.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562051
PNG
(CHEMBL4750183)
Show SMILES O=c1ccoc2ccc(OCCN3CCOCC3)cc12
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562051
PNG
(CHEMBL4750183)
Show SMILES O=c1ccoc2ccc(OCCN3CCOCC3)cc12
PDB

UniProtKB/SwissProt

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562058
PNG
(CHEMBL4794757)
Show SMILES CCN(CC)CCOc1ccc2occc(=O)c2c1
PDB

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1.21E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562043
PNG
(CHEMBL4778900)
Show SMILES O=c1ccoc2ccc(OCCN3CCCC3)cc12
UniProtKB/SwissProt

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1.25E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562055
PNG
(CHEMBL4779000)
Show SMILES CN1CCN(CCOc2ccc3occc(=O)c3c2)CC1
UniProtKB/SwissProt

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1.42E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562053
PNG
(CHEMBL4754019)
Show SMILES O=c1ccoc2ccc(OCCCCN3CCOCC3)cc12
UniProtKB/SwissProt

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1.46E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562056
PNG
(CHEMBL4760964)
Show SMILES CN1CCN(CCCOc2ccc3occc(=O)c3c2)CC1
UniProtKB/SwissProt

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1.71E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562052
PNG
(CHEMBL4779372)
Show SMILES O=c1ccoc2ccc(OCCCN3CCOCC3)cc12
UniProtKB/SwissProt

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2.25E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562044
PNG
(CHEMBL4765152)
Show SMILES O=c1ccoc2ccc(OCCCN3CCCC3)cc12
UniProtKB/SwissProt

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2.39E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562058
PNG
(CHEMBL4794757)
Show SMILES CCN(CC)CCOc1ccc2occc(=O)c2c1
UniProtKB/SwissProt

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3.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50562052
PNG
(CHEMBL4779372)
Show SMILES O=c1ccoc2ccc(OCCCN3CCOCC3)cc12
PDB

UniProtKB/SwissProt

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n/an/a<2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAO-B


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
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