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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'cheng' and Initial = 'hwa'   
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


(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
KEGG

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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


(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
KEGG

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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))
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
KEGG

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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))
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
KEGG

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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
KEGG

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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
KEGG

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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
KEGG

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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))
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

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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))
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
KEGG

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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))
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
KEGG

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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
KEGG

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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))
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
KEGG

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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))
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
KEGG

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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))
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
KEGG

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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))
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

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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))
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

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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
Translocator protein


(Homo sapiens (Human))
BDBM50509037
PNG
(CHEMBL4560218)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccccc2)c1
Show InChI InChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3
KEGG

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208n/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))
BDBM50509038
PNG
(CHEMBL4563441)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccccc2Cl)c1
Show InChI InChI=1S/C29H25ClN2O2/c1-31(18-20-8-7-9-22(16-20)34-2)29(33)19-32-27-13-6-4-11-24(27)25-17-21(14-15-28(25)32)23-10-3-5-12-26(23)30/h3-17H,18-19H2,1-2H3
KEGG

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214n/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))
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
KEGG

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217n/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))
BDBM50509038
PNG
(CHEMBL4563441)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccccc2Cl)c1
Show InChI InChI=1S/C29H25ClN2O2/c1-31(18-20-8-7-9-22(16-20)34-2)29(33)19-32-27-13-6-4-11-24(27)25-17-21(14-15-28(25)32)23-10-3-5-12-26(23)30/h3-17H,18-19H2,1-2H3
KEGG

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231n/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))
BDBM50509037
PNG
(CHEMBL4560218)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccccc2)c1
Show InChI InChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3
KEGG

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231n/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))
BDBM50509022
PNG
(CHEMBL4440106)
Show SMILES CCN(Cc1ccccc1NC(C)=O)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H25N3O2/c1-3-27(16-19-10-4-7-13-22(19)26-18(2)29)25(30)17-28-23-14-8-5-11-20(23)21-12-6-9-15-24(21)28/h4-15H,3,16-17H2,1-2H3,(H,26,29)
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243n/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))
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
KEGG

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277n/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))
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
KEGG

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319n/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))
BDBM50509036
PNG
(CHEMBL4532562)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H30N2O3/c1-4-32(20-22-8-7-9-26(18-22)36-3)31(34)21-33-29-11-6-5-10-27(29)28-19-24(14-17-30(28)33)23-12-15-25(35-2)16-13-23/h5-19H,4,20-21H2,1-3H3
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369n/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))
BDBM50509045
PNG
(CHEMBL4461372)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3
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385n/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))
BDBM50509045
PNG
(CHEMBL4461372)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3
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418n/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))
BDBM50509036
PNG
(CHEMBL4532562)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H30N2O3/c1-4-32(20-22-8-7-9-26(18-22)36-3)31(34)21-33-29-11-6-5-10-27(29)28-19-24(14-17-30(28)33)23-12-15-25(35-2)16-13-23/h5-19H,4,20-21H2,1-3H3
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447n/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))
BDBM50509035
PNG
(CHEMBL4475609)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(Br)ccc12
Show InChI InChI=1S/C24H23BrN2O2/c1-3-26(15-17-7-6-8-19(13-17)29-2)24(28)16-27-22-10-5-4-9-20(22)21-14-18(25)11-12-23(21)27/h4-14H,3,15-16H2,1-2H3
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462n/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))
BDBM50509035
PNG
(CHEMBL4475609)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(Br)ccc12
Show InChI InChI=1S/C24H23BrN2O2/c1-3-26(15-17-7-6-8-19(13-17)29-2)24(28)16-27-22-10-5-4-9-20(22)21-14-18(25)11-12-23(21)27/h4-14H,3,15-16H2,1-2H3
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469n/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))
BDBM50509042
PNG
(CHEMBL4445371)
Show SMILES CCN(Cc1cccc(F)c1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H21FN2O/c1-2-25(15-17-8-7-9-18(24)14-17)23(27)16-26-21-12-5-3-10-19(21)20-11-4-6-13-22(20)26/h3-14H,2,15-16H2,1H3
KEGG

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563n/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))
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
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639n/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))
BDBM50509026
PNG
(CHEMBL4551915)
Show SMILES CCN(Cc1ccc(F)cc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H21FN2O/c1-2-25(15-17-11-13-18(24)14-12-17)23(27)16-26-21-9-5-3-7-19(21)20-8-4-6-10-22(20)26/h3-14H,2,15-16H2,1H3
KEGG

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694n/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))
BDBM50509040
PNG
(CHEMBL4440548)
Show SMILES CCN(Cc1ccccc1OC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-3-25(16-18-10-4-9-15-23(18)28-2)24(27)17-26-21-13-7-5-11-19(21)20-12-6-8-14-22(20)26/h4-15H,3,16-17H2,1-2H3
KEGG

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1.53E+3n/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))
BDBM50509040
PNG
(CHEMBL4440548)
Show SMILES CCN(Cc1ccccc1OC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-3-25(16-18-10-4-9-15-23(18)28-2)24(27)17-26-21-13-7-5-11-19(21)20-12-6-8-14-22(20)26/h4-15H,3,16-17H2,1-2H3
KEGG

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1.55E+3n/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))
BDBM50509025
PNG
(CHEMBL4536533)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25ClN2O2/c1-31(18-20-6-5-7-24(16-20)34-2)29(33)19-32-27-9-4-3-8-25(27)26-17-22(12-15-28(26)32)21-10-13-23(30)14-11-21/h3-17H,18-19H2,1-2H3
KEGG

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1.70E+3n/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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3.12E+3n/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))
BDBM50509025
PNG
(CHEMBL4536533)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25ClN2O2/c1-31(18-20-6-5-7-24(16-20)34-2)29(33)19-32-27-9-4-3-8-25(27)26-17-22(12-15-28(26)32)21-10-13-23(30)14-11-21/h3-17H,18-19H2,1-2H3
KEGG

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3.56E+3n/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))
BDBM50509030
PNG
(CHEMBL4447625)
Show SMILES CCN(Cc1ccc(OC)cc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-3-25(16-18-12-14-19(28-2)15-13-18)24(27)17-26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-15H,3,16-17H2,1-2H3
KEGG

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4.74E+3n/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))
BDBM50509021
PNG
(CHEMBL4585880)
Show SMILES CCN(Cc1cccc(c1)C(F)(F)F)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H21F3N2O/c1-2-28(15-17-8-7-9-18(14-17)24(25,26)27)23(30)16-29-21-12-5-3-10-19(21)20-11-4-6-13-22(20)29/h3-14H,2,15-16H2,1H3
KEGG

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>1.00E+4n/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))
BDBM50509022
PNG
(CHEMBL4440106)
Show SMILES CCN(Cc1ccccc1NC(C)=O)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H25N3O2/c1-3-27(16-19-10-4-7-13-22(19)26-18(2)29)25(30)17-28-23-14-8-5-11-20(23)21-12-6-9-15-24(21)28/h4-15H,3,16-17H2,1-2H3,(H,26,29)
KEGG

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>1.00E+4n/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))
BDBM50509024
PNG
(CHEMBL4571475)
Show SMILES CCN(Cc1ccc(NC(C)=O)cc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H25N3O2/c1-3-27(16-19-12-14-20(15-13-19)26-18(2)29)25(30)17-28-23-10-6-4-8-21(23)22-9-5-7-11-24(22)28/h4-15H,3,16-17H2,1-2H3,(H,26,29)
KEGG

UniProtKB/SwissProt

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UniChem
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>1.00E+4n/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))
BDBM50509026
PNG
(CHEMBL4551915)
Show SMILES CCN(Cc1ccc(F)cc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H21FN2O/c1-2-25(15-17-11-13-18(24)14-12-17)23(27)16-26-21-9-5-3-7-19(21)20-8-4-6-10-22(20)26/h3-14H,2,15-16H2,1H3
KEGG

UniProtKB/SwissProt

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UniChem
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>1.00E+4n/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))
BDBM50509029
PNG
(CHEMBL4554031)
Show SMILES O=C(Cn1c2ccccc2c2ccccc12)NCc1ccccc1
Show InChI InChI=1S/C21H18N2O/c24-21(22-14-16-8-2-1-3-9-16)15-23-19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1-13H,14-15H2,(H,22,24)
KEGG

UniProtKB/SwissProt

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UniChem
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>1.00E+4n/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))
BDBM50509031
PNG
(CHEMBL4580702)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H21F3N2O/c1-2-28(15-17-9-3-6-12-20(17)24(25,26)27)23(30)16-29-21-13-7-4-10-18(21)19-11-5-8-14-22(19)29/h3-14H,2,15-16H2,1H3
KEGG

UniProtKB/SwissProt

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UniChem
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>1.00E+4n/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))
BDBM50509032
PNG
(CHEMBL4446805)
Show SMILES CCN(Cc1ccccn1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C22H21N3O/c1-2-24(15-17-9-7-8-14-23-17)22(26)16-25-20-12-5-3-10-18(20)19-11-4-6-13-21(19)25/h3-14H,2,15-16H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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UniChem
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>1.00E+4n/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))
BDBM50509033
PNG
(CHEMBL4587084)
Show SMILES CCN(Cc1cccnc1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C22H21N3O/c1-2-24(15-17-8-7-13-23-14-17)22(26)16-25-20-11-5-3-9-18(20)19-10-4-6-12-21(19)25/h3-14H,2,15-16H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
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UniChem
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>1.00E+4n/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))
BDBM50509029
PNG
(CHEMBL4554031)
Show SMILES O=C(Cn1c2ccccc2c2ccccc12)NCc1ccccc1
Show InChI InChI=1S/C21H18N2O/c24-21(22-14-16-8-2-1-3-9-16)15-23-19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1-13H,14-15H2,(H,22,24)
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
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PubMed
>1.00E+4n/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))
BDBM50509042
PNG
(CHEMBL4445371)
Show SMILES CCN(Cc1cccc(F)c1)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H21FN2O/c1-2-25(15-17-8-7-9-18(24)14-17)23(27)16-26-21-12-5-3-10-19(21)20-11-4-6-13-22(20)26/h3-14H,2,15-16H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/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
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