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Compile Data Set for Download or QSAR

Found 419 hits with Last Name = 'da pozzo' 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
Translocator protein


(Rattus norvegicus (rat))
BDBM50073602
PNG
(CHEMBL3408973)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-5-31(6-2)26(33)19-25-27(30-32-21(4)18-20(3)29-28(25)32)23-12-14-24(15-13-23)34-17-16-22-10-8-7-9-11-22/h7-15,18H,5-6,16-17,19H2,1-4H3
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0.130n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253857
PNG
(CHEMBL460998 | N-butyl-2-(5-chloro-2-(4-chlorophen...)
Show SMILES CCCCN(C)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O2/c1-3-4-11-25(2)21(27)20(26)18-16-12-15(23)9-10-17(16)24-19(18)13-5-7-14(22)8-6-13/h5-10,12,24H,3-4,11H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253893
PNG
(2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-N-me...)
Show SMILES CCCCCN(C)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-4-5-12-26(2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human TSPO


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253483
PNG
(CHEMBL492686 | N,N-dihexyl-2-(2-(4-nitrophenyl)-1H...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H35N3O4/c1-3-5-7-11-19-30(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)29-26(25)21-15-17-22(18-16-21)31(34)35/h9-10,13-18,29H,3-8,11-12,19-20H2,1-2H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50011484
PNG
(CHEMBL3261894)
Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1
Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3
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0.235n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes


J Med Chem 57: 2413-28 (2014)


Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253344
PNG
(CHEMBL493301 | N,N-dibutyl-2-(2-(4-nitrophenyl)-1H...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H27N3O4/c1-3-5-15-26(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)25-22(21)17-11-13-18(14-12-17)27(30)31/h7-14,25H,3-6,15-16H2,1-2H3
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0.270n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50421116
PNG
(CHEMBL2088374)
Show SMILES COc1ccc(cc1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-6-4-3-5-7-18)22(26)15-25-20-14-17(10-13-21(20)29-23(25)27)16-8-11-19(28-2)12-9-16/h3-14H,15H2,1-2H3
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0.280n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50335260
PNG
(CHEMBL1651226 | N,N-dihexyl-2-(1-methyl-2-phenyl-1...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C29H38N2O2/c1-4-6-8-15-21-31(22-16-9-7-5-2)29(33)28(32)26-24-19-13-14-20-25(24)30(3)27(26)23-17-11-10-12-18-23/h10-14,17-20H,4-9,15-16,21-22H2,1-3H3
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0.299n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50335259
PNG
(CHEMBL1651225 | N,N-dibutyl-2-(1-methyl-2-phenyl-1...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C25H30N2O2/c1-4-6-17-27(18-7-5-2)25(29)24(28)22-20-15-11-12-16-21(20)26(3)23(22)19-13-9-8-10-14-19/h8-16H,4-7,17-18H2,1-3H3
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0.300n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104776
PNG
(CHEMBL3597377)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50073596
PNG
(CHEMBL3408967)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-23-26(30-32-19(4)15-18(3)29-27(23)32)20-11-13-22(14-12-20)34-17-21-9-7-8-10-24(21)28/h7-15H,5-6,16-17H2,1-4H3
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0.310n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253894
PNG
(CHEMBL517895 | N-butyl-2-(5-chloro-2-(4-chlorophen...)
Show SMILES CCCCN(CC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-5-12-26(4-2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253595
PNG
(2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C28H35FN2O2/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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0.370n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(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



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104772
PNG
(CHEMBL3597381)
Show SMILES CCCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3
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0.370n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50350912
PNG
(CHEMBL1817978)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnc(F)cc1Oc1ccccc1
Show InChI InChI=1S/C21H19FN2O3/c1-15(25)24(14-16-8-6-7-11-19(16)26-2)18-13-23-21(22)12-20(18)27-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3
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0.440n/an/an/an/an/an/an/an/a



CEA, I�BM

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenate


Bioorg Med Chem Lett 21: 4819-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.048
BindingDB Entry DOI: 10.7270/Q200032R
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50011498
PNG
(CHEMBL3261908)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C24H19ClN2O/c1-27(16-17-9-3-2-4-10-17)24(28)22-15-18-11-5-6-12-19(18)23(26-22)20-13-7-8-14-21(20)25/h2-15H,16H2,1H3
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0.442n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes


J Med Chem 57: 2413-28 (2014)


Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50073597
PNG
(CHEMBL3408968)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-24-26(30-32-19(4)14-18(3)29-27(24)32)21-10-12-23(13-11-21)34-17-20-8-7-9-22(28)15-20/h7-15H,5-6,16-17H2,1-4H3
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0.470n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50011495
PNG
(CHEMBL3261905)
Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1
Show InChI InChI=1S/C25H22ClN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3
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0.489n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes


J Med Chem 57: 2413-28 (2014)


Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP
More data for this
Ligand-Target Pair
Translocator protein


(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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0.5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay


J Med Chem 55: 4506-10 (2012)


Article DOI: 10.1021/jm201703k
BindingDB Entry DOI: 10.7270/Q2TB1806
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50060095
PNG
(2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22Cl3N3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-15(22)8-6-14)25-21-17(24)11-16(23)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Translocator protein


(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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0.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588817
PNG
(CHEMBL5193551)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OC)cc1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104770
PNG
(CHEMBL3597383)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C29H24N2O2/c1-2-31(19-20-10-4-3-5-11-20)29(33)28(32)26-24-14-8-9-15-25(24)30-27(26)23-17-16-21-12-6-7-13-22(21)18-23/h3-18,30H,2,19H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104771
PNG
(CHEMBL3597382)
Show SMILES CCCCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26N2O2/c1-3-5-16-28(4-2)26(30)25(29)23-21-12-8-9-13-22(21)27-24(23)20-15-14-18-10-6-7-11-19(18)17-20/h6-15,17,27H,3-5,16H2,1-2H3
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0.510n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104774
PNG
(CHEMBL3597379)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104779
PNG
(CHEMBL3597374)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O2/c1-3-18-30(19-4-2)28(32)27(31)25-23-12-8-9-13-24(23)29-26(25)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,29H,3-4,18-19H2,1-2H3
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0.530n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104775
PNG
(CHEMBL3597378)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C28H30N2O2/c1-3-5-17-30(18-6-4-2)28(32)27(31)25-23-13-9-10-14-24(23)29-26(25)22-16-15-20-11-7-8-12-21(20)19-22/h7-16,19,29H,3-6,17-18H2,1-2H3
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0.540n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253715
PNG
(CHEMBL518662 | N-benzyl-N-ethyl-2-(2-(4-nitropheny...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H21N3O4/c1-2-27(16-17-8-4-3-5-9-17)25(30)24(29)22-20-10-6-7-11-21(20)26-23(22)18-12-14-19(15-13-18)28(31)32/h3-15,26H,2,16H2,1H3
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104773
PNG
(CHEMBL3597380)
Show SMILES CCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50011494
PNG
(CHEMBL3261904)
Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1
Show InChI InChI=1S/C25H22FN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes


J Med Chem 57: 2413-28 (2014)


Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP
More data for this
Ligand-Target Pair
Translocator protein


(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
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50073600
PNG
(CHEMBL3408971)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-24-26(33-35-19(4)14-18(3)32-27(24)35)21-10-12-23(13-11-21)37-17-20-8-7-9-22(15-20)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3
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0.670n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50388407
PNG
(CHEMBL2058825)
Show SMILES CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C27H35N3O/c1-3-5-7-14-20-30(21-15-8-6-4-2)27(31)26-28-24-19-13-12-18-23(24)25(29-26)22-16-10-9-11-17-22/h9-13,16-19H,3-8,14-15,20-21H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay


J Med Chem 55: 4506-10 (2012)


Article DOI: 10.1021/jm201703k
BindingDB Entry DOI: 10.7270/Q2TB1806
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50229594
PNG
(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of rat TSPO


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50011486
PNG
(CHEMBL3261896)
Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3
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0.762n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes


J Med Chem 57: 2413-28 (2014)


Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50073598
PNG
(CHEMBL3408969)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-24-26(30-32-19(4)15-18(3)29-27(24)32)21-9-13-23(14-10-21)34-17-20-7-11-22(28)12-8-20/h7-15H,5-6,16-17H2,1-4H3
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0.770n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50073591
PNG
(CHEMBL3408960)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC2CCC2)cc1
Show InChI InChI=1S/C24H30N4O2/c1-5-27(6-2)22(29)15-21-23(26-28-17(4)14-16(3)25-24(21)28)18-10-12-20(13-11-18)30-19-8-7-9-19/h10-14,19H,5-9,15H2,1-4H3
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0.860n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50073588
PNG
(CHEMBL3408974)
Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF |r|
Show InChI InChI=1S/C19H25FN2O/c1-3-21(4-2)19(23)15-9-7-11-17-18(15)14-8-5-6-10-16(14)22(17)13-12-20/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3/t15-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50011483
PNG
(CHEMBL3261893)
Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1
Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3
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0.888n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes


J Med Chem 57: 2413-28 (2014)


Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50104780
PNG
(CHEMBL3597373)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1
Show InChI InChI=1S/C26H34N2O2S/c1-3-5-7-11-16-28(17-12-8-6-4-2)26(30)25(29)23-21-13-9-10-14-22(21)27-24(23)20-15-18-31-19-20/h9-10,13-15,18-19,27H,3-8,11-12,16-17H2,1-2H3
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0.890n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253309
PNG
(2-(2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo-N,N-dipr...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N3O4/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(12-10-15)25(28)29/h5-12,23H,3-4,13-14H2,1-2H3
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0.950n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253598
PNG
(2-(5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H34F2N2O2/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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0.950n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50073595
PNG
(CHEMBL3408966)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H30N4O2/c1-5-30(6-2)25(32)17-24-26(29-31-20(4)16-19(3)28-27(24)31)22-12-14-23(15-13-22)33-18-21-10-8-7-9-11-21/h7-16H,5-6,17-18H2,1-4H3
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0.990n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method


Eur J Med Chem 93: 392-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.004
BindingDB Entry DOI: 10.7270/Q2G73GF4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253486
PNG
(CHEMBL492290 | N,N-dihexyl-2-oxo-2-(2-(4-(trifluor...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O2/c1-3-5-7-11-19-34(20-12-8-6-4-2)28(36)27(35)25-23-13-9-10-14-24(23)33-26(25)21-15-17-22(18-16-21)29(30,31)32/h9-10,13-18,33H,3-8,11-12,19-20H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253773
PNG
(CHEMBL462469 | N-benzyl-N-ethyl-2-oxo-2-(2-(4-(tri...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O2/c1-2-31(16-17-8-4-3-5-9-17)25(33)24(32)22-20-10-6-7-11-21(20)30-23(22)18-12-14-19(15-13-18)26(27,28)29/h3-15,30H,2,16H2,1H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50335268
PNG
(2-(2-(4-fluorophenyl)-1-methyl-1H-indol-3-yl)-N,N-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12
Show InChI InChI=1S/C29H37FN2O2/c1-4-6-8-12-20-32(21-13-9-7-5-2)29(34)28(33)26-24-14-10-11-15-25(24)31(3)27(26)22-16-18-23(30)19-17-22/h10-11,14-19H,4-9,12-13,20-21H2,1-3H3
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1.07n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50011497
PNG
(CHEMBL3261907)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1
Show InChI InChI=1S/C23H18FN3O/c1-27(15-16-9-3-2-4-10-16)23(28)22-25-20-14-8-6-12-18(20)21(26-22)17-11-5-7-13-19(17)24/h2-14H,15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes


J Med Chem 57: 2413-28 (2014)


Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP
More data for this
Ligand-Target Pair
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