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PubMed code 18294852

Compile data set for download or QSAR
Found 13 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))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
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n/an/a 0.620n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054125
PNG
((E)-2-(2-(4-chlorophenyl)-1,2-dihydro-1-oxo-3H-pyr...)
Show SMILES COc1ccc(cc1)N(C)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H20ClN3O3/c1-30(19-11-13-21(34-2)14-12-19)25(32)16-24-26-22(15-17-5-3-4-6-23(17)29-26)27(33)31(24)20-9-7-18(28)8-10-20/h3-16H,1-2H3/b24-16+
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n/an/a 0.900n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
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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PubMed
n/an/a 2.10n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50373041
PNG
(CHEMBL260827)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H18ClN3O2/c1-29(19-13-11-18(27)12-14-19)24(31)16-23-25-21(15-17-7-5-6-10-22(17)28-25)26(32)30(23)20-8-3-2-4-9-20/h2-16H,1H3/b23-16+
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50373042
PNG
(CHEMBL260294)
Show SMILES COc1ccc(cc1)N(C)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccccc1
Show InChI InChI=1S/C27H21N3O3/c1-29(19-12-14-21(33-2)15-13-19)25(31)17-24-26-22(16-18-8-6-7-11-23(18)28-26)27(32)30(24)20-9-4-3-5-10-20/h3-17H,1-2H3/b24-17+
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054140
PNG
((E)-N-benzyl-2-(2-(4-chlorophenyl)-1-oxo-1,2-dihyd...)
Show SMILES CCN(Cc1ccccc1)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22ClN3O2/c1-2-31(18-19-8-4-3-5-9-19)26(33)17-25-27-23(16-20-10-6-7-11-24(20)30-27)28(34)32(25)22-14-12-21(29)13-15-22/h3-17H,2,18H2,1H3/b25-17+
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054130
PNG
((E)-2-(2-(4-chlorophenyl)-1-oxo-1,2-dihydropyrrolo...)
Show SMILES CCCCCCN(CCCCCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H36ClN3O2/c1-3-5-7-11-19-34(20-12-8-6-4-2)29(36)22-28-30-26(21-23-13-9-10-14-27(23)33-30)31(37)35(28)25-17-15-24(32)16-18-25/h9-10,13-18,21-22H,3-8,11-12,19-20H2,1-2H3/b28-22+
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054138
PNG
((E)-N-benzyl-2-(2-(4-chlorophenyl)-1-oxo-1,2-dihyd...)
Show SMILES CN(Cc1ccccc1)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H20ClN3O2/c1-30(17-18-7-3-2-4-8-18)25(32)16-24-26-22(15-19-9-5-6-10-23(19)29-26)27(33)31(24)21-13-11-20(28)12-14-21/h2-16H,17H2,1H3/b24-16+
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n/an/a 26n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50373046
PNG
(CHEMBL263650)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C26H18ClN3O2/c1-29(19-8-3-2-4-9-19)24(31)16-23-25-21(15-17-7-5-6-10-22(17)28-25)26(32)30(23)20-13-11-18(27)12-14-20/h2-16H,1H3/b23-16+
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n/an/a 44n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50373044
PNG
(CHEMBL261443)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H18ClN3O3/c1-29(18-10-12-20(31)13-11-18)24(32)15-23-25-21(14-16-4-2-3-5-22(16)28-25)26(33)30(23)19-8-6-17(27)7-9-19/h2-15,31H,1H3/b23-15+
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n/an/a 74n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50373045
PNG
(CHEMBL258841)
Show SMILES COc1ccc(NC(=O)\C=C2\N(C(=O)c3cc4ccccc4nc23)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H18ClN3O3/c1-33-20-12-8-18(9-13-20)28-24(31)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(32)30(23)19-10-6-17(27)7-11-19/h2-15H,1H3,(H,28,31)/b23-15+
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n/an/a 76n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50373043
PNG
(CHEMBL261139)
Show SMILES CN(CC#C)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16ClN3O2/c1-3-12-26(2)21(28)14-20-22-18(13-15-6-4-5-7-19(15)25-22)23(29)27(20)17-10-8-16(24)9-11-17/h1,4-11,13-14H,12H2,2H3/b20-14+
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n/an/a 320n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50373040
PNG
(CHEMBL258945)
Show SMILES COc1ccc(cc1)N(C)C=Cc1n(-c2ccc(Cl)cc2)c(=O)c2cc3ccccc3[nH]c12 |w:11.12|
Show InChI InChI=1S/C27H22ClN3O2/c1-30(20-11-13-22(33-2)14-12-20)16-15-25-26-23(17-18-5-3-4-6-24(18)29-26)27(32)31(25)21-9-7-19(28)8-10-21/h3-17,29H,1-2H3
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n/an/a 2.36E+3n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%