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PubMed code 8863805

Compile data set for download or QSAR
Found 35 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
Peripheral-Type Benzodiazepine Receptor


(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 0.700n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 1.10n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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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Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-5-4864 from rat kidney peripheral benzodiazepine receptor


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
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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n/an/a 1.80n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(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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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 2.10n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-5-4864 from rat kidney peripheral benzodiazepine receptor


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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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Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-5-4864 from rat cerebral cortex peripheral benzodiazepine receptor


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 2.40n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 3.20n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054127
PNG
(2-[6-Chloro-2-(4-chloro-phenyl)-1,8a-dihydro-imida...)
Show SMILES CCCN(CCC)C(=O)CC1N2C=C(Cl)C=CC2N=C1c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25Cl2N3O/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/h5-10,14,18-19H,3-4,11-13H2,1-2H3
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 4.5n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-5-4864 from rat cerebral cortex peripheral benzodiazepine receptor


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
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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n/an/a 7n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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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Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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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Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-5-4864 from rat cerebral cortex peripheral benzodiazepine receptor


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 140n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 150n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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n/an/a 160n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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n/an/a 210n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054134
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-5,6-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cccnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,14H,3-4,12-13H2,1-2H3/b18-14+
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n/an/a 290n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 320n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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 610n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054131
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-2,3-dihydro-1H-pyrrol...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1n(-c2ccc(Cl)cc2)c(=O)c2cc3ccccc3[nH]c12
Show InChI InChI=1S/C31H38ClN3O2/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/h9-10,13-18,21,33H,3-8,11-12,19-20,22H2,1-2H3
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054133
PNG
(6-(4-Chloro-phenyl)-6,7-dihydro-pyrrolo[3,4-b]pyri...)
Show SMILES Clc1ccc(cc1)-n1cc2[nH]cccc2c1=O
Show InChI InChI=1S/C13H9ClN2O/c14-9-3-5-10(6-4-9)16-8-12-11(13(16)17)2-1-7-15-12/h1-8,15H
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50454429
PNG
(CHEMBL2111919)
Show SMILES CCCN(CCC)C(=O)\C=C1/N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16-
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054132
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-6,7-dihydro-5H-pyrrol...)
Show SMILES CCCN(CCC)C(=O)Cc1n(-c2ccc(Cl)cc2)c(=O)c2ccc[nH]c12
Show InChI InChI=1S/C21H24ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,23H,3-4,12-14H2,1-2H3
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054129
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-2,3-dihydro-1H-pyrrol...)
Show SMILES CCCN(CCC)C(=O)Cc1n(-c2ccc(Cl)cc2)c(=O)c2cc3ccccc3[nH]c12
Show InChI InChI=1S/C25H26ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15,27H,3-4,13-14,16H2,1-2H3
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Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054135
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-6,7-dihydro-5H-pyrrol...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1n(-c2ccc(Cl)cc2)c(=O)c2ccc[nH]c12
Show InChI InChI=1S/C27H36ClN3O2/c1-3-5-7-9-18-30(19-10-8-6-4-2)25(32)20-24-26-23(12-11-17-29-26)27(33)31(24)22-15-13-21(28)14-16-22/h11-17,29H,3-10,18-20H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054137
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-5,6-dihydro-pyrrolo[3...)
Show SMILES CCCCCCN(CCCCCC)C(=O)\C=C1\N(C(=O)c2cccnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O2/c1-3-5-7-9-18-30(19-10-8-6-4-2)25(32)20-24-26-23(12-11-17-29-26)27(33)31(24)22-15-13-21(28)14-16-22/h11-17,20H,3-10,18-19H2,1-2H3/b24-20+
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n/an/a 3.30E+4n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%