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PubMed code 9288173

Compile data set for download or QSAR
Found 56 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))		BDBM50059754
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...)
Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C
Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059754
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...)
Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C
Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059749
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-18-23(20-13-7-4-8-14-20)21-15-9-10-16-22(21)26-24(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059749
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-18-23(20-13-7-4-8-14-20)21-15-9-10-16-22(21)26-24(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
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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n/an/a 2.20n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))		BDBM50059755
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(5.27,-7.89,;3.94,-8.66,;3.95,-10.2,;5.3,-10.97,;2.62,-10.99,;2.64,-12.53,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C22H23FN2O/c1-5-14(2)25(4)22(26)21-15(3)20(16-10-6-8-12-18(16)23)17-11-7-9-13-19(17)24-21/h6-14H,5H2,1-4H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059755
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(5.27,-7.89,;3.94,-8.66,;3.95,-10.2,;5.3,-10.97,;2.62,-10.99,;2.64,-12.53,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C22H23FN2O/c1-5-14(2)25(4)22(26)21-15(3)20(16-10-6-8-12-18(16)23)17-11-7-9-13-19(17)24-21/h6-14H,5H2,1-4H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059758
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid b...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C25H22N2O/c1-18-21-15-9-10-16-22(21)24(20-13-7-4-8-14-20)26-23(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059758
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid b...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C25H22N2O/c1-18-21-15-9-10-16-22(21)24(20-13-7-4-8-14-20)26-23(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059739
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(2.64,-12.53,;2.62,-10.99,;3.95,-10.2,;5.3,-10.97,;6.61,-10.18,;7.94,-10.94,;7.96,-12.49,;9.29,-13.25,;6.63,-13.26,;5.3,-12.51,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C25H20ClFN2O/c1-16-23(19-7-3-5-9-21(19)27)20-8-4-6-10-22(20)28-24(16)25(30)29(2)15-17-11-13-18(26)14-12-17/h3-14H,15H2,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059739
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(2.64,-12.53,;2.62,-10.99,;3.95,-10.2,;5.3,-10.97,;6.61,-10.18,;7.94,-10.94,;7.96,-12.49,;9.29,-13.25,;6.63,-13.26,;5.3,-12.51,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C25H20ClFN2O/c1-16-23(19-7-3-5-9-21(19)27)20-8-4-6-10-22(20)28-24(16)25(30)29(2)15-17-11-13-18(26)14-12-17/h3-14H,15H2,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059738
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-c...)
Show SMILES CN(C(=O)c1nc2ccccc2c(c1C)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059738
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-c...)
Show SMILES CN(C(=O)c1nc2ccccc2c(c1C)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059756
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-m...)
Show SMILES COc1ccc(cc1)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-17-23(18-9-5-4-6-10-18)21-11-7-8-12-22(21)26-24(17)25(28)27(2)19-13-15-20(29-3)16-14-19/h4-16H,1-3H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059756
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-m...)
Show SMILES COc1ccc(cc1)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-17-23(18-9-5-4-6-10-18)21-11-7-8-12-22(21)26-24(17)25(28)27(2)19-13-15-20(29-3)16-14-19/h4-16H,1-3H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059750
PNG
(7,8-Dihydro-benzo[k]phenanthridine-6-carboxylic ac...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c-2c1CCc1ccccc-21
Show InChI InChI=1S/C26H22N2O/c1-28(17-18-9-3-2-4-10-18)26(29)25-22-16-15-19-11-5-6-12-20(19)24(22)21-13-7-8-14-23(21)27-25/h2-14H,15-17H2,1H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059750
PNG
(7,8-Dihydro-benzo[k]phenanthridine-6-carboxylic ac...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c-2c1CCc1ccccc-21
Show InChI InChI=1S/C26H22N2O/c1-28(17-18-9-3-2-4-10-18)26(29)25-22-16-15-19-11-5-6-12-20(19)24(22)21-13-7-8-14-23(21)27-25/h2-14H,15-17H2,1H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059745
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-c...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O/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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n/an/a 9.80n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059745
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-c...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O/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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n/an/a 9.80n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059752
PNG
(8,9-Dihydro-7-oxa-5-aza-benzo[6,7]cyclohepta[1,2-a...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c-2c1OCCc1ccccc-21
Show InChI InChI=1S/C26H22N2O2/c1-28(17-18-9-3-2-4-10-18)26(29)24-25-23(21-13-7-8-14-22(21)27-24)20-12-6-5-11-19(20)15-16-30-25/h2-14H,15-17H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059752
PNG
(8,9-Dihydro-7-oxa-5-aza-benzo[6,7]cyclohepta[1,2-a...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c-2c1OCCc1ccccc-21
Show InChI InChI=1S/C26H22N2O2/c1-28(17-18-9-3-2-4-10-18)26(29)24-25-23(21-13-7-8-14-22(21)27-24)20-12-6-5-11-19(20)15-16-30-25/h2-14H,15-17H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059743
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid s...)
Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)20-16(3)18-13-9-10-14-19(18)21(23-20)17-11-7-6-8-12-17/h6-15H,5H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059743
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid s...)
Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)20-16(3)18-13-9-10-14-19(18)21(23-20)17-11-7-6-8-12-17/h6-15H,5H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059737
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CCC(C)NC(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(5.27,-7.89,;3.94,-8.66,;3.95,-10.2,;5.3,-10.97,;2.62,-10.99,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C21H21FN2O/c1-4-13(2)23-21(25)20-14(3)19(15-9-5-7-11-17(15)22)16-10-6-8-12-18(16)24-20/h5-13H,4H2,1-3H3,(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059737
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CCC(C)NC(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(5.27,-7.89,;3.94,-8.66,;3.95,-10.2,;5.3,-10.97,;2.62,-10.99,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C21H21FN2O/c1-4-13(2)23-21(25)20-14(3)19(15-9-5-7-11-17(15)22)16-10-6-8-12-18(16)24-20/h5-13H,4H2,1-3H3,(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059751
PNG
(8-Benzyl-5-phenyl-8,11-dihydro-6,8-diaza-cyclohept...)
Show SMILES O=C1N(Cc2ccccc2)CC=Cc2c1nc(-c1ccccc1)c1ccccc21 |c:12|
Show InChI InChI=1S/C26H20N2O/c29-26-25-23(16-9-17-28(26)18-19-10-3-1-4-11-19)21-14-7-8-15-22(21)24(27-25)20-12-5-2-6-13-20/h1-16H,17-18H2
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n/an/a 45n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059751
PNG
(8-Benzyl-5-phenyl-8,11-dihydro-6,8-diaza-cyclohept...)
Show SMILES O=C1N(Cc2ccccc2)CC=Cc2c1nc(-c1ccccc1)c1ccccc21 |c:12|
Show InChI InChI=1S/C26H20N2O/c29-26-25-23(16-9-17-28(26)18-19-10-3-1-4-11-19)21-14-7-8-15-22(21)24(27-25)20-12-5-2-6-13-20/h1-16H,17-18H2
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n/an/a 46n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059740
PNG
(7-Benzyl-11-phenyl-7,8,9,10-tetrahydro-5,7-diaza-c...)
Show SMILES O=C1N(Cc2ccccc2)CCCc2c1nc1ccccc1c2-c1ccccc1
Show InChI InChI=1S/C26H22N2O/c29-26-25-22(15-9-17-28(26)18-19-10-3-1-4-11-19)24(20-12-5-2-6-13-20)21-14-7-8-16-23(21)27-25/h1-8,10-14,16H,9,15,17-18H2
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n/an/a 170n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059740
PNG
(7-Benzyl-11-phenyl-7,8,9,10-tetrahydro-5,7-diaza-c...)
Show SMILES O=C1N(Cc2ccccc2)CCCc2c1nc1ccccc1c2-c1ccccc1
Show InChI InChI=1S/C26H22N2O/c29-26-25-22(15-9-17-28(26)18-19-10-3-1-4-11-19)24(20-12-5-2-6-13-20)21-14-7-8-16-23(21)27-25/h1-8,10-14,16H,9,15,17-18H2
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n/an/a 170n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059744
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...)
Show SMILES CCC(C)NC(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-4-14(2)22-21(24)20-15(3)19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-20/h5-14H,4H2,1-3H3,(H,22,24)
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n/an/a 229n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059744
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...)
Show SMILES CCC(C)NC(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-4-14(2)22-21(24)20-15(3)19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-20/h5-14H,4H2,1-3H3,(H,22,24)
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n/an/a 230n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059732
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1F)C(=O)NCc1ccc(Cl)cc1 |(1.31,-13.31,;-.02,-12.55,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,;1.29,-10.23,;1.27,-8.69,;2.62,-10.99,;3.95,-10.2,;5.3,-10.97,;5.3,-12.51,;6.63,-13.26,;7.96,-12.49,;9.29,-13.25,;7.94,-10.94,;6.61,-10.18,)|
Show InChI InChI=1S/C24H18ClFN2O/c1-15-22(18-6-2-4-8-20(18)26)19-7-3-5-9-21(19)28-23(15)24(29)27-14-16-10-12-17(25)13-11-16/h2-13H,14H2,1H3,(H,27,29)
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n/an/a 269n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059732
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1F)C(=O)NCc1ccc(Cl)cc1 |(1.31,-13.31,;-.02,-12.55,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,;1.29,-10.23,;1.27,-8.69,;2.62,-10.99,;3.95,-10.2,;5.3,-10.97,;5.3,-12.51,;6.63,-13.26,;7.96,-12.49,;9.29,-13.25,;7.94,-10.94,;6.61,-10.18,)|
Show InChI InChI=1S/C24H18ClFN2O/c1-15-22(18-6-2-4-8-20(18)26)19-7-3-5-9-21(19)28-23(15)24(29)27-14-16-10-12-17(25)13-11-16/h2-13H,14H2,1H3,(H,27,29)
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n/an/a 270n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059730
PNG
(2-Benzyl-5-phenyl-1,2-dihydro-pyrrolo[3,4-c]isoqui...)
Show SMILES O=C1N(Cc2ccccc2)Cc2c1nc(-c1ccccc1)c1ccccc21
Show InChI InChI=1S/C24H18N2O/c27-24-23-21(16-26(24)15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(25-23)18-11-5-2-6-12-18/h1-14H,15-16H2
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n/an/a 479n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059730
PNG
(2-Benzyl-5-phenyl-1,2-dihydro-pyrrolo[3,4-c]isoqui...)
Show SMILES O=C1N(Cc2ccccc2)Cc2c1nc(-c1ccccc1)c1ccccc21
Show InChI InChI=1S/C24H18N2O/c27-24-23-21(16-26(24)15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(25-23)18-11-5-2-6-12-18/h1-14H,15-16H2
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n/an/a 480n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059731
PNG
(8-sec-Butyl-5-phenyl-8,9-dihydro-6,8-diaza-cyclohe...)
Show SMILES CCC(C)N1CC=Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O |c:6|
Show InChI InChI=1S/C23H22N2O/c1-3-16(2)25-15-9-14-20-18-12-7-8-13-19(18)21(24-22(20)23(25)26)17-10-5-4-6-11-17/h4-14,16H,3,15H2,1-2H3
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n/an/a 490n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059731
PNG
(8-sec-Butyl-5-phenyl-8,9-dihydro-6,8-diaza-cyclohe...)
Show SMILES CCC(C)N1CC=Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O |c:6|
Show InChI InChI=1S/C23H22N2O/c1-3-16(2)25-15-9-14-20-18-12-7-8-13-19(18)21(24-22(20)23(25)26)17-10-5-4-6-11-17/h4-14,16H,3,15H2,1-2H3
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n/an/a 490n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059742
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid s...)
Show SMILES CCC(C)NC(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C21H22N2O/c1-4-14(2)22-21(24)19-15(3)17-12-8-9-13-18(17)20(23-19)16-10-6-5-7-11-16/h5-14H,4H2,1-3H3,(H,22,24)
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n/an/a 550n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059742
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid s...)
Show SMILES CCC(C)NC(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C21H22N2O/c1-4-14(2)22-21(24)19-15(3)17-12-8-9-13-18(17)20(23-19)16-10-6-5-7-11-16/h5-14H,4H2,1-3H3,(H,22,24)
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n/an/a 550n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059734
PNG
(2-sec-Butyl-5-phenyl-1,2-dihydro-pyrrolo[3,4-c]iso...)
Show SMILES CCC(C)N1Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C21H20N2O/c1-3-14(2)23-13-18-16-11-7-8-12-17(16)19(22-20(18)21(23)24)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3
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n/an/a 617n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059734
PNG
(2-sec-Butyl-5-phenyl-1,2-dihydro-pyrrolo[3,4-c]iso...)
Show SMILES CCC(C)N1Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C21H20N2O/c1-3-14(2)23-13-18-16-11-7-8-12-17(16)19(22-20(18)21(23)24)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3
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n/an/a 620n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059733
PNG
(8-sec-Butyl-5-phenyl-8,9,10,11-tetrahydro-6,8-diaz...)
Show SMILES CCC(C)N1CCCc2c(nc(-c3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C23H24N2O/c1-3-16(2)25-15-9-14-20-18-12-7-8-13-19(18)21(24-22(20)23(25)26)17-10-5-4-6-11-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059733
PNG
(8-sec-Butyl-5-phenyl-8,9,10,11-tetrahydro-6,8-diaz...)
Show SMILES CCC(C)N1CCCc2c(nc(-c3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C23H24N2O/c1-3-16(2)25-15-9-14-20-18-12-7-8-13-19(18)21(24-22(20)23(25)26)17-10-5-4-6-11-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3
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n/an/a 794n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059748
PNG
(2-Benzyl-1-butyl-9-phenyl-1,2-dihydro-pyrrolo[3,4-...)
Show SMILES CCCCC1N(Cc2ccccc2)C(=O)c2nc3ccccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C28H26N2O/c1-2-3-18-24-26-25(21-14-8-5-9-15-21)22-16-10-11-17-23(22)29-27(26)28(31)30(24)19-20-12-6-4-7-13-20/h4-17,24H,2-3,18-19H2,1H3
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n/an/a 810n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059748
PNG
(2-Benzyl-1-butyl-9-phenyl-1,2-dihydro-pyrrolo[3,4-...)
Show SMILES CCCCC1N(Cc2ccccc2)C(=O)c2nc3ccccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C28H26N2O/c1-2-3-18-24-26-25(21-14-8-5-9-15-21)22-16-10-11-17-23(22)29-27(26)28(31)30(24)19-20-12-6-4-7-13-20/h4-17,24H,2-3,18-19H2,1H3
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n/an/a 813n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059747
PNG
(7-sec-Butyl-11-phenyl-7,8,9,10-tetrahydro-5,7-diaz...)
Show SMILES CCC(C)N1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O
Show InChI InChI=1S/C23H24N2O/c1-3-16(2)25-15-9-13-19-21(17-10-5-4-6-11-17)18-12-7-8-14-20(18)24-22(19)23(25)26/h4-8,10-12,14,16H,3,9,13,15H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059735
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20N2O/c1-17-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)26-23(17)24(27)25-16-18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,25,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059735
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20N2O/c1-17-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)26-23(17)24(27)25-16-18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,25,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059747
PNG
(7-sec-Butyl-11-phenyl-7,8,9,10-tetrahydro-5,7-diaz...)
Show SMILES CCC(C)N1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O
Show InChI InChI=1S/C23H24N2O/c1-3-16(2)25-15-9-13-19-21(17-10-5-4-6-11-17)18-12-7-8-14-20(18)24-22(19)23(25)26/h4-8,10-12,14,16H,3,9,13,15H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059753
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid 4-ch...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O/c1-16-22(18-7-3-2-4-8-18)20-9-5-6-10-21(20)27-23(16)24(28)26-15-17-11-13-19(25)14-12-17/h2-14H,15H2,1H3,(H,26,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059753
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid 4-ch...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O/c1-16-22(18-7-3-2-4-8-18)20-9-5-6-10-21(20)27-23(16)24(28)26-15-17-11-13-19(25)14-12-17/h2-14H,15H2,1H3,(H,26,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059736
PNG
(7-Methyl-11-phenyl-7,8,9,10-tetrahydro-5,7-diaza-c...)
Show SMILES CN1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O
Show InChI InChI=1S/C20H18N2O/c1-22-13-7-11-16-18(14-8-3-2-4-9-14)15-10-5-6-12-17(15)21-19(16)20(22)23/h2-6,8-10,12H,7,11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059757
PNG
(2-sec-Butyl-9-phenyl-1,2-dihydro-pyrrolo[3,4-b]qui...)
Show SMILES CCC(C)N1Cc2c(nc3ccccc3c2-c2ccccc2)C1=O
Show InChI InChI=1S/C21H20N2O/c1-3-14(2)23-13-17-19(15-9-5-4-6-10-15)16-11-7-8-12-18(16)22-20(17)21(23)24/h4-12,14H,3,13H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059746
PNG
(2-sec-Butyl-9-(2-fluoro-phenyl)-1,2-dihydro-pyrrol...)
Show SMILES CCC(C)N1Cc2c(nc3ccccc3c2-c2ccccc2F)C1=O |(9.31,.42,;7.77,.41,;7.02,-.94,;7.8,-2.25,;5.46,-.97,;4.58,-2.22,;3.11,-1.77,;3.09,-.22,;1.74,.53,;.43,-.24,;-.92,.53,;-2.23,-.24,;-2.23,-1.79,;-.92,-2.56,;.43,-1.77,;1.76,-2.54,;1.76,-4.08,;.43,-4.85,;.42,-6.38,;1.74,-7.16,;3.08,-6.39,;3.08,-4.85,;4.4,-4.08,;4.55,.28,;5.01,1.75,)|
Show InChI InChI=1S/C21H19FN2O/c1-3-13(2)24-12-16-19(14-8-4-6-10-17(14)22)15-9-5-7-11-18(15)23-20(16)21(24)25/h4-11,13H,3,12H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059741
PNG
(2-Benzyl-9-phenyl-1,2-dihydro-pyrrolo[3,4-b]quinol...)
Show SMILES O=C1N(Cc2ccccc2)Cc2c1nc1ccccc1c2-c1ccccc1
Show InChI InChI=1S/C24H18N2O/c27-24-23-20(16-26(24)15-17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)19-13-7-8-14-21(19)25-23/h1-14H,15-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex

J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%