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PubMed code 17088069

Compile data set for download or QSAR
Found 15 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


(Cavia porcellus (Guinea pig))
BDBM50198054
PNG
((3-biphenyl-4-yl-butyl)-dimethyl-amine | CHEMBL224...)
Show SMILES CC(CCN(C)C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H23N/c1-15(13-14-19(2)3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
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1.02n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198061
PNG
((E)-N,N-dimethyl-3-(biphen-4-yl)but-2-en-1-ylamine...)
Show SMILES CN(C)C\C=C(/C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H21N/c1-15(13-14-19(2)3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b15-13+
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1.40n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198064
PNG
(CHEMBL224855 | N,N-dimethyl-3-(naphthalen-2-yl)but...)
Show SMILES CC(CCN(C)C)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H21N/c1-13(10-11-17(2)3)15-9-8-14-6-4-5-7-16(14)12-15/h4-9,12-13H,10-11H2,1-3H3
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1.95n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198055
PNG
((R/S)-3-(6-Methoxynaphthalen-2-yl)-N,N-dimethylbut...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)C
Show InChI InChI=1S/C17H23NO/c1-13(9-10-18(2)3)14-5-6-16-12-17(19-4)8-7-15(16)11-14/h5-8,11-13H,9-10H2,1-4H3
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2.30n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198063
PNG
(CHEMBL387955 | N-benzyl-N-methyl-3-(naphthalen-2-y...)
Show SMILES CC(CCN(C)Cc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H25N/c1-18(14-15-23(2)17-19-8-4-3-5-9-19)21-13-12-20-10-6-7-11-22(20)16-21/h3-13,16,18H,14-15,17H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198062
PNG
((R/S)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbutan-1-a...)
Show SMILES CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-16,20H,17-19H2,1-2H3
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5.80n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198065
PNG
(4(E)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbut-2-en-1...)
Show SMILES CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H25N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3/b20-17+
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6.32n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198058
PNG
((E)-N-benzyl-N-methyl-3-(naphthalen-2-yl)but-2-en-...)
Show SMILES CN(C\C=C(/C)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C22H23N/c1-18(14-15-23(2)17-19-8-4-3-5-9-19)21-13-12-20-10-6-7-11-22(20)16-21/h3-14,16H,15,17H2,1-2H3/b18-14+
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7.88n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198067
PNG
((R/S)-N,N-dimethyl-3-(6-hydroxy-naphthalen-2-yl)bu...)
Show SMILES CC(CCN(C)C)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H21NO/c1-12(8-9-17(2)3)13-4-5-15-11-16(18)7-6-14(15)10-13/h4-7,10-12,18H,8-9H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198068
PNG
((E)-N,N-dimethyl-3-(naphthalen-2-yl)but-2-en-1-ami...)
Show SMILES CN(C)C\C=C(/C)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19N/c1-13(10-11-17(2)3)15-9-8-14-6-4-5-7-16(14)12-15/h4-10,12H,11H2,1-3H3/b13-10+
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19.8n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198066
PNG
((E)-3-(6-Methoxynaphthalen-2-yl)-N,N-dimethylbut-2...)
Show SMILES COc1ccc2cc(ccc2c1)C(\C)=C\CN(C)C
Show InChI InChI=1S/C17H21NO/c1-13(9-10-18(2)3)14-5-6-16-12-17(19-4)8-7-15(16)11-14/h5-9,11-12H,10H2,1-4H3/b13-9+
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21.4n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198057
PNG
((R/S)-4-(dimethylamino)-2-(naphthalen-2-yl)butan-2...)
Show SMILES CN(C)CCCC(C)(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H23NO/c1-17(19,11-6-12-18(2)3)16-10-9-14-7-4-5-8-15(14)13-16/h4-5,7-10,13,19H,6,11-12H2,1-3H3
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25n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198056
PNG
(CHEMBL387519 | N,N-dimethyl-3-(naphthalen-1-yl)but...)
Show SMILES CC(CCN(C)C)c1cccc2ccccc12
Show InChI InChI=1S/C16H21N/c1-13(11-12-17(2)3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13H,11-12H2,1-3H3
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47.2n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198060
PNG
((E)-N,N-dimethyl-3-(naphthalen-1-yl)but-2-en-1-ami...)
Show SMILES CN(C)C\C=C(/C)c1cccc2ccccc12
Show InChI InChI=1S/C16H19N/c1-13(11-12-17(2)3)15-10-6-8-14-7-4-5-9-16(14)15/h4-11H,12H2,1-3H3/b13-11+
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102n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198059
PNG
((E)-N,N-dimethyl-3-(6-hydroxy-naphthalen-2-yl)but-...)
Show SMILES CN(C)C\C=C(/C)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H19NO/c1-12(8-9-17(2)3)13-4-5-15-11-16(18)7-6-14(15)10-13/h4-8,10-11,18H,9H2,1-3H3/b12-8+
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229n/an/an/an/an/an/an/an/a



Università di Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem 15: 771-83 (2006)


Article DOI: 10.1016/j.bmc.2006.10.048
BindingDB Entry DOI: 10.7270/Q29023F7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%