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Compile Data Set for Download or QSAR

Found 123 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(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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PubMed
0.188n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in monkey brain


Bioorg Med Chem Lett 13: 201-4 (2002)

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


Citation and Details
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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0.242n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


Citation and Details
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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0.242n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human PBR receptor


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98172
PNG
(US8492379, 28)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3
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US Patent
0.450n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98171
PNG
(US8492379, 27)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C21H26N4O/c1-6-24(7-2)19(26)13-18-20(17-10-8-14(3)9-11-17)22-21-15(4)12-16(5)23-25(18)21/h8-12H,6-7,13H2,1-5H3
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US Patent
0.460n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50073588
PNG
(CHEMBL3408974)
Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1/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-/s2
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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)


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98173
PNG
(US8492379, 29)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H23BrN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3
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US Patent
0.970n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50255877
PNG
(CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
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0.997n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human PBR receptor


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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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1.19n/an/an/an/an/an/an/an/a



CEA, I�BM

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human HEK293 mitochondrial fraction


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50229593
PNG
(CHEMBL253596 | N-acetyl-N-(2-methoxycarbonylbenzyl...)
Show SMILES COC(=O)c1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98176
PNG
(US8492379, 53)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)24-22-15(3)13-16(4)25-27(19)22/h7-10,13H,5-6,11-12,14H2,1-4H3
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US Patent
1.55n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50335270
PNG
(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
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1.57n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from high affinity binding site of TSPO in human brain membrane homogenate by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50335270
PNG
(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
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1.82n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from mixed affinity binding site of TSPO in human brain membrane homogenate by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98174
PNG
(US8492379, 30)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3
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US Patent
2.40n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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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2.5n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human TSPO


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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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2.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98170
PNG
(US8492379, 26)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)22-21-14(3)12-15(4)23-25(18)21/h8-12H,6-7,13H2,1-5H3
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US Patent
2.61n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98177
PNG
(US8492379, 54)
Show SMILES CCN(CC)C(=O)C(Oc1cccnc1-n1cccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O3/c1-4-24(5-2)22(26)20(17-10-12-18(27-3)13-11-17)28-19-9-8-14-23-21(19)25-15-6-7-16-25/h6-16,20H,4-5H2,1-3H3
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4n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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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4.5n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human TSPO


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50229596
PNG
(1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...)
Show SMILES CC[C@H](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/t14-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98178
PNG
(US8492379, 55)
Show SMILES CCN(CC)C(=O)C(Oc1ccccc1-n1cccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N2O3/c1-4-24(5-2)23(26)22(18-12-14-19(27-3)15-13-18)28-21-11-7-6-10-20(21)25-16-8-9-17-25/h6-17,22H,4-5H2,1-3H3
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US Patent
5n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98179
PNG
(US8492379, 56)
Show SMILES CCN(CC)C(=O)C(Oc1ccc(Cl)cc1-n1cccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H25ClN2O3/c1-4-25(5-2)23(27)22(17-8-11-19(28-3)12-9-17)29-21-13-10-18(24)16-20(21)26-14-6-7-15-26/h6-16,22H,4-5H2,1-3H3
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US Patent
5.70n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50327238
PNG
(2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3
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PubMed
6.70n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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
7.11n/an/an/an/an/an/an/an/a



CEA, I�BM

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human HEK293 mitochondrial fraction


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50442394
PNG
(CHEMBL2442940)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1cccnc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O3/c1-27(17-7-5-16(6-8-17)22(23,24)25)20(29)13-28-18-11-14(15-3-2-10-26-12-15)4-9-19(18)31-21(28)30/h2-12H,13H2,1H3
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8n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human U-87 MG cells after 1 hr by by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50327238
PNG
(2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3
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PubMed
8.20n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition constant against Adenosine A2a receptor


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50335270
PNG
(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
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PubMed
9.53n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from low affinity binding site of TSPO in human brain membrane homogenate by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM98175
PNG
(US8492379, 52)
Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(O)cc1
Show InChI InChI=1S/C20H24N4O2/c1-5-23(6-2)18(26)12-17-19(15-7-9-16(25)10-8-15)21-20-13(3)11-14(4)22-24(17)20/h7-11,25H,5-6,12H2,1-4H3
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US Patent
11.0n/an/an/an/an/an/an/an/a



The University of Sydney

US Patent


Assay Description
In vitro binding activity of TSPO.


US Patent US8492379 (2013)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131400
PNG
(CHEMBL3634876)
Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3
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PubMed
28n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition constant against Adenosine A2a receptor


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131380
PNG
(CHEMBL3634878)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)18(26)13-25-20(16-8-10-17(27-5)11-9-16)23-19-14(3)12-15(4)22-21(19)25/h8-12H,6-7,13H2,1-5H3
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PubMed
29n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131380
PNG
(CHEMBL3634878)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)18(26)13-25-20(16-8-10-17(27-5)11-9-16)23-19-14(3)12-15(4)22-21(19)25/h8-12H,6-7,13H2,1-5H3
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PubMed
144n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition constant against Adenosine A2a receptor


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131399
PNG
(CHEMBL3634877)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H27N3O2/c1-6-24(7-2)20(26)14-25-19-13-15(3)12-16(4)21(19)23-22(25)17-8-10-18(27-5)11-9-17/h8-13H,6-7,14H2,1-5H3
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PubMed
224n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131399
PNG
(CHEMBL3634877)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H27N3O2/c1-6-24(7-2)20(26)14-25-19-13-15(3)12-16(4)21(19)23-22(25)17-8-10-18(27-5)11-9-17/h8-13H,6-7,14H2,1-5H3
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PubMed
398n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition constant against Adenosine A2a receptor


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131400
PNG
(CHEMBL3634876)
Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3
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PubMed
806n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
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PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1A adrenergic receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50187377
PNG
(CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfona...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
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>2.00E+3n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to benzodiazepine receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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2.54E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to PBR receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50114872
PNG
(CHEMBL3608450)
Show SMILES COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1
Show InChI InChI=1/C26H25NO4/c1-27-13-19(15-7-5-4-6-8-15)18-12-23(28-2)26(29-3)25-17-11-22-21(30-14-31-22)10-16(17)9-20(27)24(18)25/h4-8,10-12,19-20H,9,13-14H2,1-3H3
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PubMed
2.90E+3n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity to PBR (unknown origin)


Bioorg Med Chem Lett 25: 3451-4 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50311076
PNG
(CHEMBL1079079 | [125I]1-(2-iodophenyl)-4-cyano-5-(...)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H22IN5O2/c1-31-17-11-9-16(10-12-17)22-18(15-25)21(23(30)27-28-13-5-2-6-14-28)26-29(22)20-8-4-3-7-19(20)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,27,30)
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PubMed
3.17E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO at 10 uM by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to BZP receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131379
PNG
(CHEMBL3634879)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)nc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O2/c1-6-24(7-2)17(26)12-25-19(15-8-10-16(27-5)11-9-15)23-18-13(3)21-14(4)22-20(18)25/h8-11H,6-7,12H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition constant against Adenosine A2a receptor


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50301542
PNG
(4-fluoro-N-methyl-N-(4-(6-(methylamino)pyrimidin-4...)
Show SMILES CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human TSPO receptor by PDSP assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131379
PNG
(CHEMBL3634879)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)nc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O2/c1-6-24(7-2)17(26)12-25-19(15-8-10-16(27-5)11-9-15)23-18-13(3)21-14(4)22-20(18)25/h8-11H,6-7,12H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay


J Med Chem 58: 8743-9 (2015)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50378900
PNG
(CHEMBL1672415)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)N(C)CCCCCCN(C)C(=O)c5cc6ccccc6c(n5)-c5ccccc5I)[C@@H]4C)c4cc(O)c5c(C)c(cc1[nH]2)nc45)c(C)c3C=C
Show InChI InChI=1S/C57H60IN7O3/c1-9-37-32(3)44-29-46-34(5)39(54(61-46)42-28-51(66)53-35(6)47(62-56(42)53)31-49-38(10-2)33(4)45(60-49)30-48(37)59-44)23-24-52(67)64(7)25-17-11-12-18-26-65(8)57(68)50-27-36-19-13-14-20-40(36)55(63-50)41-21-15-16-22-43(41)58/h9,13-16,19-22,27-31,34,39,59-60,66H,1,10-12,17-18,23-26H2,2-8H3/b44-29-,45-30-,46-29-,47-31-,48-30-,49-31-,54-42-/t34-,39-/m0/s1
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50336914
PNG
(3-[(21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetra...)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4[nH]c(c(CCC(=O)NCCCCCCNC(=O)c5cc6ccccc6c(n5)-c5ccccc5I)c4C)c4cc(O)c5c(C)c(cc1[nH]2)[nH]c45)c(C)c3C=C
Show InChI InChI=1S/C55H56IN7O3/c1-7-35-30(3)42-27-44-32(5)37(52(61-44)40-26-49(64)51-33(6)45(62-54(40)51)29-47-36(8-2)31(4)43(60-47)28-46(35)59-42)21-22-50(65)57-23-15-9-10-16-24-58-55(66)48-25-34-17-11-12-18-38(34)53(63-48)39-19-13-14-20-41(39)56/h7,11-14,17-20,25-29,59-62,64H,1,8-10,15-16,21-24H2,2-6H3,(H,57,65)(H,58,66)/b42-27-,43-28-,44-27-,45-29-,46-28-,47-29-,52-40-
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50012189
PNG
(CHEMBL3265238)
Show SMILES COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1
Show InChI InChI=1S/C21H18Br2FN3O/c1-28-21-4-2-3-20(26-21)25-11-15(24)12-27-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)27/h2-10,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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 490n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50378901
PNG
(CHEMBL1672418)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I
Show InChI InChI=1S/C21H21IN2O/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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Article
n/an/a 620n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
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