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PubMed code 7473601

Compile data set for download or QSAR
Found 11 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))
BDBM50029750
PNG
(CHEMBL288551 | Dimethyl-carbamic acid 5-phenyl-6-t...)
Show SMILES CN(C)C(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:6|
Show InChI InChI=1S/C21H18N2O2S/c1-22(2)21(24)25-19-17-12-8-14-23(17)16-11-6-7-13-18(16)26-20(19)15-9-4-3-5-10-15/h3-14H,1-2H3
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9n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50029756
PNG
(3,4,5-Trimethoxy-benzoic acid 9-chloro-5-(4-methox...)
Show SMILES COc1ccc(cc1)C1=C(OC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccn2-c2cc(Cl)ccc2S1 |c:9|
Show InChI InChI=1S/C29H24ClNO6S/c1-33-20-10-7-17(8-11-20)28-26(21-6-5-13-31(21)22-16-19(30)9-12-25(22)38-28)37-29(32)18-14-23(34-2)27(36-4)24(15-18)35-3/h5-16H,1-4H3
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>10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50029751
PNG
(CHEMBL284371 | Nicotinic acid 5-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)C1=C(OC(=O)c2cccnc2)c2cccn2-c2ccccc2S1 |c:9|
Show InChI InChI=1S/C25H18N2O3S/c1-29-19-12-10-17(11-13-19)24-23(30-25(28)18-6-4-14-26-16-18)21-8-5-15-27(21)20-7-2-3-9-22(20)31-24/h2-16H,1H3
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>10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50029755
PNG
(Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...)
Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1 |t:4|
Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3
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30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50029754
PNG
(CHEMBL286909 | Methanesulfonic acid 5-(4-methoxy-p...)
Show SMILES COc1ccc(cc1)C1=C(OS(C)(=O)=O)c2cccn2-c2ccccc2S1 |c:9|
Show InChI InChI=1S/C20H17NO4S2/c1-24-15-11-9-14(10-12-15)20-19(25-27(2,22)23)17-7-5-13-21(17)16-6-3-4-8-18(16)26-20/h3-13H,1-2H3
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95n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50029752
PNG
(5-Phenyl-6-thia-10b-aza-benzo[e]azulene | CHEMBL35...)
Show SMILES S1c2ccccc2-n2cccc2C=C1c1ccccc1 |c:14|
Show InChI InChI=1S/C18H13NS/c1-2-7-14(8-3-1)18-13-15-9-6-12-19(15)16-10-4-5-11-17(16)20-18/h1-13H
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3.15E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50029753
PNG
(4-Methoxy-5-phenyl-6-thia-10b-aza-benzo[e]azulene ...)
Show SMILES COC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:2|
Show InChI InChI=1S/C19H15NOS/c1-21-18-16-11-7-13-20(16)15-10-5-6-12-17(15)22-19(18)14-8-3-2-4-9-14/h2-13H,1H3
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7.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50021058
PNG
(7-Chloro-1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1CCN=C(c2ccccc2)c2cc(Cl)ccc12 |t:4|
Show InChI InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
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n/an/an/a>10n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
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/an/a 2n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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n/an/an/a 213n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
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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n/an/an/a 58n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


J Med Chem 38: 4730-8 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%