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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'abignente' and Initial = 'e'   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22038
PNG
(2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
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0.370n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22038
PNG
(2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
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0.370 -50.0n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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0.5 -49.3n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143231
PNG
(2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35ClN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143232
PNG
(2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-2-ox...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3
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0.620n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143233
PNG
(CHEMBL292847 | N,N-Dibutyl-2-[2-(4-chloro-phenyl)-...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143220
PNG
(CHEMBL294625 | N,N-Dihexyl-2-oxo-2-(2-phenyl-1H-in...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H36N2O2/c1-3-5-7-14-20-30(21-15-8-6-4-2)28(32)27(31)25-23-18-12-13-19-24(23)29-26(25)22-16-10-9-11-17-22/h9-13,16-19,29H,3-8,14-15,20-21H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143245
PNG
(CHEMBL55135 | N,N-Dihexyl-2-oxo-2-(2-p-tolyl-1H-in...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(C)cc1
Show InChI InChI=1S/C29H38N2O2/c1-4-6-8-12-20-31(21-13-9-7-5-2)29(33)28(32)26-24-14-10-11-15-25(24)30-27(26)23-18-16-22(3)17-19-23/h10-11,14-19,30H,4-9,12-13,20-21H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143225
PNG
(CHEMBL300762 | N,N-Dibutyl-2-[5-chloro-2-(4-chloro...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26Cl2N2O2/c1-3-5-13-28(14-6-4-2)24(30)23(29)21-19-15-18(26)11-12-20(19)27-22(21)16-7-9-17(25)10-8-16/h7-12,15,27H,3-6,13-14H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143227
PNG
(CHEMBL54403 | N,N-Dibutyl-2-[2-(4-fluoro-phenyl)-1...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143242
PNG
(2-(5-Chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipr...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccccc1
Show InChI InChI=1S/C22H23ClN2O2/c1-3-12-25(13-4-2)22(27)21(26)19-17-14-16(23)10-11-18(17)24-20(19)15-8-6-5-7-9-15/h5-11,14,24H,3-4,12-13H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120763
PNG
(CHEMBL358076 | Cyclopentanecarboxylic acid (7-ethy...)
Show SMILES CCc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-2-15-12-24-18(20-15)21-16(13-8-4-3-5-9-13)22-19(24)23-17(25)14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21,22,23,25)
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3.30n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143240
PNG
(CHEMBL431747 | N,N-Dibutyl-2-oxo-2-(2-p-tolyl-1H-i...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(C)cc1
Show InChI InChI=1S/C25H30N2O2/c1-4-6-16-27(17-7-5-2)25(29)24(28)22-20-10-8-9-11-21(20)26-23(22)19-14-12-18(3)13-15-19/h8-15,26H,4-7,16-17H2,1-3H3
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3.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143244
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-2-oxo-N,N-di...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O2/c1-3-13-25(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)24-20(19)15-9-11-16(23)12-10-15/h5-12,24H,3-4,13-14H2,1-2H3
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4.28n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120761
PNG
(CHEMBL355898 | Cyclopentanecarboxylic acid (7-meth...)
Show SMILES Cc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C18H19N5O/c1-12-11-23-17(19-12)20-15(13-7-3-2-4-8-13)21-18(23)22-16(24)14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,19,20,21,22,24)
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4.40n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143234
PNG
(2-(2-(4-chlorophenyl)-1H-indol-3-yl)-2-oxo-N,N-dip...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN2O2/c1-3-13-25(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)24-20(19)15-9-11-16(23)12-10-15/h5-12,24H,3-4,13-14H2,1-2H3
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4.65n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143228
PNG
(CHEMBL54066 | N,N-Dibutyl-2-(5-chloro-2-phenyl-1H-...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccccc1
Show InChI InChI=1S/C24H27ClN2O2/c1-3-5-14-27(15-6-4-2)24(29)23(28)21-19-16-18(25)12-13-20(19)26-22(21)17-10-8-7-9-11-17/h7-13,16,26H,3-6,14-15H2,1-2H3
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4.91n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143224
PNG
(2-Oxo-N,N-dipropyl-2-(2-p-tolyl-1H-indol-3-yl)-ace...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(C)cc1
Show InChI InChI=1S/C23H26N2O2/c1-4-14-25(15-5-2)23(27)22(26)20-18-8-6-7-9-19(18)24-21(20)17-12-10-16(3)11-13-17/h6-13,24H,4-5,14-15H2,1-3H3
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143238
PNG
(2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34Cl2N2O2/c1-3-5-7-9-17-32(18-10-8-6-4-2)28(34)27(33)25-23-19-22(30)15-16-24(23)31-26(25)20-11-13-21(29)14-12-20/h11-16,19,31H,3-10,17-18H2,1-2H3
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5.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120767
PNG
(CHEMBL148464 | Cyclopentanecarboxylic acid (7-isop...)
Show SMILES CC(C)c1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-13(2)16-12-25-19(21-16)22-17(14-8-4-3-5-9-14)23-20(25)24-18(26)15-10-6-7-11-15/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,21,22,23,24,26)
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5.80n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143236
PNG
(CHEMBL431938 | N,N-Dibutyl-2-oxo-2-(2-phenyl-1H-in...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)24(28)23(27)21-19-14-10-11-15-20(19)25-22(21)18-12-8-7-9-13-18/h7-15,25H,3-6,16-17H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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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9.30 -42.6n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(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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9.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (human))
BDBM50120759
PNG
(CHEMBL146479 | N-(7-Methyl-2-phenyl-imidazo[1,2-a]...)
Show SMILES Cc1cn2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22,23,25)
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11.8n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22037
PNG
(2-Phenylindolglyoxylamide Derivative, 6 | 2-[2-(4-...)
Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12
Show InChI InChI=1S/C28H25FN6O5/c29-18-11-9-17(10-12-18)24-23(19-7-3-4-8-20(19)32-24)27(36)28(37)31-16-6-2-1-5-15-30-21-13-14-22(35(38)39)26-25(21)33-40-34-26/h3-4,7-14,30,32H,1-2,5-6,15-16H2,(H,31,37)
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12 -42.0n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120765
PNG
(1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-...)
Show SMILES CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
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12n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143223
PNG
(2-Oxo-2-(2-phenyl-1H-indol-3-yl)-N,N-dipropyl-acet...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c1-3-14-24(15-4-2)22(26)21(25)19-17-12-8-9-13-18(17)23-20(19)16-10-6-5-7-11-16/h5-13,23H,3-4,14-15H2,1-2H3
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12.2n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143226
PNG
(2-Oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)-acet...)
Show SMILES CCCCCN(CCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c1-3-5-12-18-28(19-13-6-4-2)26(30)25(29)23-21-16-10-11-17-22(21)27-24(23)20-14-8-7-9-15-20/h7-11,14-17,27H,3-6,12-13,18-19H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143237
PNG
(CHEMBL55190 | N,N-Di-sec-butyl-2-oxo-2-(2-phenyl-1...)
Show SMILES CCC(C)N(C(C)CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c1-5-16(3)26(17(4)6-2)24(28)23(27)21-19-14-10-11-15-20(19)25-22(21)18-12-8-7-9-13-18/h7-17,25H,5-6H2,1-4H3
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17n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120764
PNG
(CHEMBL149732 | Cyclopentanecarboxylic acid (2,7-di...)
Show SMILES O=C(Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C23H21N5O/c29-21(18-13-7-8-14-18)27-23-26-20(17-11-5-2-6-12-17)25-22-24-19(15-28(22)23)16-9-3-1-4-10-16/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26,27,29)
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17n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22036
PNG
(2-Phenylindolglyoxylamide Derivative, 5 | 7-nitrob...)
Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12
Show InChI InChI=1S/C28H26N6O5/c35-27(23-19-12-6-7-13-20(19)31-24(23)18-10-4-3-5-11-18)28(36)30-17-9-2-1-8-16-29-21-14-15-22(34(37)38)26-25(21)32-39-33-26/h3-7,10-15,29,31H,1-2,8-9,16-17H2,(H,30,36)
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17 -41.2n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50120767
PNG
(CHEMBL148464 | Cyclopentanecarboxylic acid (7-isop...)
Show SMILES CC(C)c1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-13(2)16-12-25-19(21-16)22-17(14-8-4-3-5-9-14)23-20(25)24-18(26)15-10-6-7-11-15/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,21,22,23,24,26)
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17.4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50120763
PNG
(CHEMBL358076 | Cyclopentanecarboxylic acid (7-ethy...)
Show SMILES CCc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-2-15-12-24-18(20-15)21-16(13-8-4-3-5-9-13)22-19(24)23-17(25)14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21,22,23,25)
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20.2n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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23 -40.5n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120766
PNG
(CHEMBL147582 | N-(2,7-Diphenyl-imidazo[1,2-a][1,3,...)
Show SMILES CC(=O)Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-13(25)20-18-22-17(15-10-6-3-7-11-15)23-19-21-16(12-24(18)19)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,21,22,23,25)
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23n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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23n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22035
PNG
(2-Phenylindolglyoxylamide Derivative, 4 | 2-[2-(4-...)
Show SMILES [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12
Show InChI InChI=1S/C26H21FN6O5/c27-16-9-7-15(8-10-16)22-21(17-5-1-2-6-18(17)30-22)25(34)26(35)29-14-4-3-13-28-19-11-12-20(33(36)37)24-23(19)31-38-32-24/h1-2,5-12,28,30H,3-4,13-14H2,(H,29,35)
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23 -40.5n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120759
PNG
(CHEMBL146479 | N-(7-Methyl-2-phenyl-imidazo[1,2-a]...)
Show SMILES Cc1cn2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22,23,25)
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27.2n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143222
PNG
(1-Azepan-1-yl-2-(2-phenyl-1H-indol-3-yl)-ethane-1,...)
Show SMILES O=C(N1CCCCCC1)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H22N2O2/c25-21(22(26)24-14-8-1-2-9-15-24)19-17-12-6-7-13-18(17)23-20(19)16-10-4-3-5-11-16/h3-7,10-13,23H,1-2,8-9,14-15H2
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33n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50120766
PNG
(CHEMBL147582 | N-(2,7-Diphenyl-imidazo[1,2-a][1,3,...)
Show SMILES CC(=O)Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-13(25)20-18-22-17(15-10-6-3-7-11-15)23-19-21-16(12-24(18)19)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,21,22,23,25)
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40n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120758
PNG
(CHEMBL148074 | Cyclopentyl-(7-methyl-2-phenyl-imid...)
Show SMILES Cc1cn2c(NC3CCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-12-11-22-16(18-12)20-15(13-7-3-2-4-8-13)21-17(22)19-14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,18,19,20,21)
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41n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22034
PNG
(2-Phenylindolglyoxylamide Derivative, 3 | 7-nitrob...)
Show SMILES [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12
Show InChI InChI=1S/C26H22N6O5/c33-25(21-17-10-4-5-11-18(17)29-22(21)16-8-2-1-3-9-16)26(34)28-15-7-6-14-27-19-12-13-20(32(35)36)24-23(19)30-37-31-24/h1-5,8-13,27,29H,6-7,14-15H2,(H,28,34)
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42 -39.1n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143239
PNG
(CHEMBL55126 | N,N-Diethyl-2-oxo-2-(2-phenyl-1H-ind...)
Show SMILES CCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-3-22(4-2)20(24)19(23)17-15-12-8-9-13-16(15)21-18(17)14-10-6-5-7-11-14/h5-13,21H,3-4H2,1-2H3
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43n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143229
PNG
(2-(5-Chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccccc1
Show InChI InChI=1S/C28H35ClN2O2/c1-3-5-7-12-18-31(19-13-8-6-4-2)28(33)27(32)25-23-20-22(29)16-17-24(23)30-26(25)21-14-10-9-11-15-21/h9-11,14-17,20,30H,3-8,12-13,18-19H2,1-2H3
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58.4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143221
PNG
(CHEMBL301836 | N,N-Diisopropyl-2-oxo-2-(2-phenyl-1...)
Show SMILES CC(C)N(C(C)C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c1-14(2)24(15(3)4)22(26)21(25)19-17-12-8-9-13-18(17)23-20(19)16-10-6-5-7-11-16/h5-15,23H,1-4H3
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103n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120760
PNG
(CHEMBL343256 | Cyclohexanecarboxylic acid (7-methy...)
Show SMILES Cc1cn2c(NC(=O)C3CCCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,20,21,22,23,25)
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116n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50120760
PNG
(CHEMBL343256 | Cyclohexanecarboxylic acid (7-methy...)
Show SMILES Cc1cn2c(NC(=O)C3CCCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,20,21,22,23,25)
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202n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50120753
PNG
(CHEMBL421782 | N-(7-Methyl-2-phenyl-imidazo[1,2-a]...)
Show SMILES CC(=O)Nc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C14H13N5O/c1-9-8-19-13(15-9)17-12(11-6-4-3-5-7-11)18-14(19)16-10(2)20/h3-8H,1-2H3,(H,15,16,17,18,20)
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231n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120754
PNG
(CHEMBL147913 | Cyclohexylmethyl-(7-methyl-2-phenyl...)
Show SMILES Cc1cn2c(NCC3CCCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-14-13-24-18(20-12-15-8-4-2-5-9-15)22-17(23-19(24)21-14)16-10-6-3-7-11-16/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,20,21,22,23)
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231n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
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