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Compile Data Set for Download or QSAR

Found 169 hits with Last Name = 'ittner' and Initial = 'lm'   
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))
BDBM50185957
PNG
(CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...)
Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
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0.920n/an/an/an/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat cortex


J Med Chem 52: 581-92 (2009)


Article DOI: 10.1021/jm8011678
BindingDB Entry DOI: 10.7270/Q2222VP0
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509027
PNG
(CHEMBL4459176)
Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1
Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3
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3.20n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cells after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50253713
PNG
(CHEMBL461828 | N-benzyl-2-(5-chloro-2-(4-chlorophe...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl2N2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-19(27)12-13-21(20)28-23(22)17-8-10-18(26)11-9-17/h3-14,28H,2,15H2,1H3
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3.33n/an/an/an/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


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


J Med Chem 52: 581-92 (2009)


Article DOI: 10.1021/jm8011678
BindingDB Entry DOI: 10.7270/Q2222VP0
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50045877
PNG
(2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat cortex


J Med Chem 52: 581-92 (2009)


Article DOI: 10.1021/jm8011678
BindingDB Entry DOI: 10.7270/Q2222VP0
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556264
PNG
(CHEMBL4789235)
Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
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6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509027
PNG
(CHEMBL4459176)
Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1
Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3
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6.60n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
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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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)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50243007
PNG
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-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)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
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7n/an/an/an/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat cortex


J Med Chem 52: 581-92 (2009)


Article DOI: 10.1021/jm8011678
BindingDB Entry DOI: 10.7270/Q2222VP0
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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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)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556263
PNG
(CHEMBL4742003)
Show SMILES COc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(C)Cc1ccccc1
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9.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50054139
PNG
((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...)
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-/m1/s1
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14n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cells after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556271
PNG
(CHEMBL4742171)
Show SMILES CCN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
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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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


Citation and Details

Article DOI: 10.1039/c9md00580c
BindingDB Entry DOI: 10.7270/Q2FJ2MF6
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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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509027
PNG
(CHEMBL4459176)
Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1
Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3
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23n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50054139
PNG
((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...)
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-/m1/s1
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23n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509027
PNG
(CHEMBL4459176)
Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1
Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3
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25n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50054139
PNG
((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...)
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-/m1/s1
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27n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556263
PNG
(CHEMBL4742003)
Show SMILES COc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(C)Cc1ccccc1
KEGG

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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
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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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)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
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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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


Citation and Details

Article DOI: 10.1039/c9md00580c
BindingDB Entry DOI: 10.7270/Q2FJ2MF6
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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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)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50054139
PNG
((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...)
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-/m1/s1
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32n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
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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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method


Citation and Details

Article DOI: 10.1039/c9md00580c
BindingDB Entry DOI: 10.7270/Q2FJ2MF6
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556266
PNG
(CHEMBL4758934)
Show SMILES CN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc12
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556267
PNG
(CHEMBL4745926)
Show SMILES CCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc12
KEGG

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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509039
PNG
(CHEMBL4447335)
Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3
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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509039
PNG
(CHEMBL4447335)
Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3
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53n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509028
PNG
(CHEMBL4161842)
Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H22N2O/c1-2-24(16-18-10-4-3-5-11-18)23(26)17-25-21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15H,2,16-17H2,1H3
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70n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556270
PNG
(CHEMBL4743573)
Show SMILES CN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12
KEGG

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77n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556264
PNG
(CHEMBL4789235)
Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
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81n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509028
PNG
(CHEMBL4161842)
Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H22N2O/c1-2-24(16-18-10-4-3-5-11-18)23(26)17-25-21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15H,2,16-17H2,1H3
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92n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509020
PNG
(CHEMBL4439049)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-3-25(16-18-9-8-10-19(15-18)28-2)24(27)17-26-22-13-6-4-11-20(22)21-12-5-7-14-23(21)26/h4-15H,3,16-17H2,1-2H3
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96n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556271
PNG
(CHEMBL4742171)
Show SMILES CCN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12
KEGG

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99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
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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99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
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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99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method


Citation and Details

Article DOI: 10.1039/c9md00580c
BindingDB Entry DOI: 10.7270/Q2FJ2MF6
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509020
PNG
(CHEMBL4439049)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-3-25(16-18-9-8-10-19(15-18)28-2)24(27)17-26-22-13-6-4-11-20(22)21-12-5-7-14-23(21)26/h4-15H,3,16-17H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
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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114n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


Citation and Details

Article DOI: 10.1039/c9md00580c
BindingDB Entry DOI: 10.7270/Q2FJ2MF6
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509039
PNG
(CHEMBL4447335)
Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3
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132n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509039
PNG
(CHEMBL4447335)
Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3
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132n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
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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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)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556270
PNG
(CHEMBL4743573)
Show SMILES CN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12
KEGG

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159n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
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177n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
KEGG

UniProtKB/SwissProt

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177n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509041
PNG
(CHEMBL4466212)
Show SMILES CCN(Cc1ccccc1F)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H21FN2O/c1-2-25(15-17-9-3-6-12-20(17)24)23(27)16-26-21-13-7-4-10-18(21)19-11-5-8-14-22(19)26/h3-14H,2,15-16H2,1H3
KEGG

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184n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556266
PNG
(CHEMBL4758934)
Show SMILES CN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc12
KEGG

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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50556272
PNG
(CHEMBL4793373)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2NC(=O)c2ccccc12
KEGG

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201n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112725
BindingDB Entry DOI: 10.7270/Q2VM4GZF
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509023
PNG
(CHEMBL4535242)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C29H25ClN2O2/c1-31(18-20-7-5-10-24(15-20)34-2)29(33)19-32-27-12-4-3-11-25(27)26-17-22(13-14-28(26)32)21-8-6-9-23(30)16-21/h3-17H,18-19H2,1-2H3
KEGG

UniProtKB/SwissProt

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201n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
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