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PubMed code 8021913

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))
BDBM50038418
PNG
(CHEMBL46326 | N-(1-Benzyl-piperidin-4-yl)-2-iodo-b...)
Show SMILES Ic1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21IN2O/c20-18-9-5-4-8-17(18)19(23)21-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,23)
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PubMed
1.64n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain using [3H]-(+)-pentazocine as radioligand.


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50038419
PNG
(CHEMBL50112 | N-(1-Benzyl-piperidin-4-yl)-4-iodo-b...)
Show SMILES Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
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PubMed
1.70n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain using [3H]-(+)-pentazocine as radioligand.


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50038420
PNG
(CHEMBL539938 | N-(1-Benzyl-piperidin-4-yl)-3-iodo-...)
Show SMILES Ic1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21IN2O/c20-17-8-4-7-16(13-17)19(23)21-18-9-11-22(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,21,23)
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3.02n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain using [3H]-(+)-pentazocine as radioligand


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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4.60n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor of MCF cells


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50038420
PNG
(CHEMBL539938 | N-(1-Benzyl-piperidin-4-yl)-3-iodo-...)
Show SMILES Ic1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21IN2O/c20-17-8-4-7-16(13-17)19(23)21-18-9-11-22(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,21,23)
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24.8n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against D-2 dopamine receptor in rat brain membranes using [3H]-(-)-sulpiride as radioligand.


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
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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60n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor of MCF cells


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50038418
PNG
(CHEMBL46326 | N-(1-Benzyl-piperidin-4-yl)-2-iodo-b...)
Show SMILES Ic1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21IN2O/c20-18-9-5-4-8-17(18)19(23)21-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,23)
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63.4n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against D-2 dopamine receptor in rat brain membranes using [3H]-(-)-sulpiride as radioligand.


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50038419
PNG
(CHEMBL50112 | N-(1-Benzyl-piperidin-4-yl)-4-iodo-b...)
Show SMILES Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
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382n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against D-2 dopamine receptor in rat brain membranes using [3H]-(-)-sulpiride as radioligand.


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
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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n/an/an/a 38.2n/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against MCF cells in the membrane preparation using radioligand binding assay.


J Med Chem 37: 1737-9 (1994)


Article DOI: 10.1021/jm00038a002
BindingDB Entry DOI: 10.7270/Q2VX0FJ7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%