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PubMed code 20045646

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
Translocator protein


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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Article
PubMed
9.80n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50310140
PNG
(CHEMBL605154 | N,N-Diethyl-3-iodomethyl-4-phenylqu...)
Show SMILES CCN(CC)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI
Show InChI InChI=1S/C21H21IN2O/c1-3-24(4-2)21(25)20-17(14-22)19(15-10-6-5-7-11-15)16-12-8-9-13-18(16)23-20/h5-13H,3-4,14H2,1-2H3
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12n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310139
PNG
(CHEMBL601203 | N-Benzyl-3-iodomethyl-N-methyl-4-ph...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI
Show InChI InChI=1S/C25H21IN2O/c1-28(17-18-10-4-2-5-11-18)25(29)24-21(16-26)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)27-24/h2-15H,16-17H2,1H3
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26.1n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310141
PNG
(4-Phenyl-3-iodomethylquinoline-2-N-methyl-N-sec-bu...)
Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI
Show InChI InChI=1S/C22H23IN2O/c1-4-15(2)25(3)22(26)21-18(14-23)20(16-10-6-5-7-11-16)17-12-8-9-13-19(17)24-21/h5-13,15H,4,14H2,1-3H3
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173n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310138
PNG
(3-Iodomethyl-N-methyl-N-phenethyl-4-phenylquinolin...)
Show SMILES CN(CCc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI
Show InChI InChI=1S/C26H23IN2O/c1-29(17-16-19-10-4-2-5-11-19)26(30)25-22(18-27)24(20-12-6-3-7-13-20)21-14-8-9-15-23(21)28-25/h2-15H,16-18H2,1H3
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411n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310137
PNG
(3-Methyl-4-phenylquinoline-2-N-methyl-N-(3-iodoben...)
Show SMILES CN(Cc1cccc(I)c1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H21IN2O/c1-17-23(19-10-4-3-5-11-19)21-13-6-7-14-22(21)27-24(17)25(29)28(2)16-18-9-8-12-20(26)15-18/h3-15H,16H2,1-2H3
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455n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310132
PNG
(4-(4-Fluorophenyl)quinoline-2-N-methyl-N-(4-iodobe...)
Show SMILES CN(Cc1ccc(I)cc1)C(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H18FIN2O/c1-28(15-16-6-12-19(26)13-7-16)24(29)23-14-21(17-8-10-18(25)11-9-17)20-4-2-3-5-22(20)27-23/h2-14H,15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310133
PNG
(4-(4-Fluorophenyl)quinoline-2-N-methyl-N-(3-iodobe...)
Show SMILES CN(Cc1cccc(I)c1)C(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H18FIN2O/c1-28(15-16-5-4-6-19(26)13-16)24(29)23-14-21(17-9-11-18(25)12-10-17)20-7-2-3-8-22(20)27-23/h2-14H,15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310136
PNG
(3-Methyl-4-phenylquinoline-2-N-methyl-N-(4-iodoben...)
Show SMILES CN(Cc1ccc(I)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H21IN2O/c1-17-23(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27-24(17)25(29)28(2)16-18-12-14-20(26)15-13-18/h3-15H,16H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310135
PNG
(4-Phenylquinoline-2-N-methyl-N-(3-iodobenzyl)carbo...)
Show SMILES CN(Cc1cccc(I)c1)C(=O)c1cc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C24H19IN2O/c1-27(16-17-8-7-11-19(25)14-17)24(28)23-15-21(18-9-3-2-4-10-18)20-12-5-6-13-22(20)26-23/h2-15H,16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50310134
PNG
(4-Phenylquinoline-2-N-methyl-N-(4-iodobenzyl)carbo...)
Show SMILES CN(Cc1ccc(I)cc1)C(=O)c1cc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C24H19IN2O/c1-27(16-17-11-13-19(25)14-12-17)24(28)23-15-21(18-7-3-2-4-8-18)20-9-5-6-10-22(20)26-23/h2-15H,16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting


Bioorg Med Chem Lett 20: 954-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.061
BindingDB Entry DOI: 10.7270/Q2JH3N50
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%