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PubMed code 20067271

Compile data set for download or QSAR
Found 11 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))
BDBM50415166
PNG
(CHEMBL578825)
Show SMILES O=C1CC(Sc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NOS/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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0.0525n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415165
PNG
(CHEMBL570795)
Show SMILES C(N1CCC(CC1)C1CCc2ccccc2S1)c1ccccc1
Show InChI InChI=1S/C21H25NS/c1-2-6-17(7-3-1)16-22-14-12-19(13-15-22)21-11-10-18-8-4-5-9-20(18)23-21/h1-9,19,21H,10-16H2
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0.0575n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415164
PNG
(CHEMBL570529)
Show SMILES O=C1CC(Oc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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0.0661n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415163
PNG
(CHEMBL571418)
Show SMILES C(N1CCC2(CC1)OCc1ccccc1S2)c1ccccc1
Show InChI InChI=1S/C19H21NOS/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
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0.0891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415162
PNG
(CHEMBL572294)
Show SMILES C(N1CCC2(CC1)OCc1ccccc1O2)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
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0.0977n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415161
PNG
(CHEMBL570067)
Show SMILES O=C1CC(Oc2ccccc12)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H25NO2/c24-20-16-22(25-21-9-5-4-8-19(20)21)18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2
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0.110n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415160
PNG
(CHEMBL571659)
Show SMILES O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc12
Show InChI InChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
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PubMed
0.209n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415159
PNG
(CHEMBL570789)
Show SMILES C(N1CCC2(CC1)CCc1ccccc1C2)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-2-6-18(7-3-1)17-22-14-12-21(13-15-22)11-10-19-8-4-5-9-20(19)16-21/h1-9H,10-17H2
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0.437n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064172
PNG
(1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...)
Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1
Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2
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0.589n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064171
PNG
(1'-benzylspiro[3,4-dihydro-2H-chromene-2,4'-(hexah...)
Show SMILES C(N1CCC2(CC1)CCc1ccccc1O2)c1ccccc1
Show InChI InChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2
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PubMed
0.617n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
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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PubMed
7.76n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%