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PubMed code 17228885

Compile data set for download or QSAR
Found 10 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))
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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PubMed
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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PubMed
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))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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PubMed
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))
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
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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PubMed
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
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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PubMed
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
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
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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PubMed
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))
BDBM22033
PNG
(2-Phenylindolglyoxylamide Derivative, 2 | 2-[2-(4-...)
Show SMILES [O-][N+](=O)c1ccc(NCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12
Show InChI InChI=1S/C24H17FN6O5/c25-14-7-5-13(6-8-14)20-19(15-3-1-2-4-16(15)28-20)23(32)24(33)27-12-11-26-17-9-10-18(31(34)35)22-21(17)29-36-30-22/h1-10,26,28H,11-12H2,(H,27,33)
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PubMed
835 -32.2n/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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22031
PNG
(2-Phenylindolglyoxylamide Derivative, 1 | 7-nitrob...)
Show SMILES [O-][N+](=O)c1ccc(NCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12
Show InChI InChI=1S/C24H18N6O5/c31-23(19-15-8-4-5-9-16(15)27-20(19)14-6-2-1-3-7-14)24(32)26-13-12-25-17-10-11-18(30(33)34)22-21(17)28-35-29-22/h1-11,25,27H,12-13H2,(H,26,32)
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PubMed
994 -31.8n/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
* indicates data uncertainty>20%