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Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'o''shea' and Initial = 'd'   
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))
BDBM50390841
PNG
(CHEMBL2070787)
Show SMILES CC(=O)N(Cc1cccc(OCCF)c1)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C22H21FN2O3/c1-17(26)25(16-18-6-5-9-20(14-18)27-13-11-23)21-15-24-12-10-22(21)28-19-7-3-2-4-8-19/h2-10,12,14-15H,11,13,16H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50390853
PNG
(CHEMBL2070800)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H21F2NO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-24)20-13-17(25)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
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0.0500n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491017
PNG
(CHEMBL2377343)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(ccc1n2CCF)C#N
Show InChI InChI=1S/C23H22FN3OS/c1-3-26(4-2)23(28)22-20-17-13-15(14-25)9-10-18(17)27(12-11-24)21(20)16-7-5-6-8-19(16)29-22/h5-10,13,22H,3-4,11-12H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50390840
PNG
(CHEMBL2070786)
Show SMILES COc1ccc(OCCF)cc1CN(C(C)=O)c1cc(F)ccc1Oc1ccccc1
Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(30-13-12-25)9-11-23(18)29-2)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491024
PNG
(CHEMBL2377352)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(Cl)ccc1n2CCF
Show InChI InChI=1S/C22H22ClFN2OS/c1-3-25(4-2)22(27)21-19-16-13-14(23)9-10-17(16)26(12-11-24)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
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0.230n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491021
PNG
(CHEMBL2377344)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC(F)(F)F)ccc1n2CCF
Show InChI InChI=1S/C23H22F4N2O2S/c1-3-28(4-2)22(30)21-19-16-13-14(31-23(25,26)27)9-10-17(16)29(12-11-24)20(19)15-7-5-6-8-18(15)32-21/h5-10,13,21H,3-4,11-12H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
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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0.280n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253019
PNG
(US9481685, 1)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-17-14-15(28-3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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0.290n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50490999
PNG
(CHEMBL2377340)
Show SMILES CCN(CC)C(=O)C1Sc2ccc(OC)cc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-16-8-6-7-9-18(16)26(13-12-24)21(20)17-14-15(28-3)10-11-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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0.300n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50490998
PNG
(CHEMBL2377339)
Show SMILES CCN(CC)C(=O)C1Sc2cc(OC)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-16-8-6-7-9-18(16)26(13-12-24)21(20)17-11-10-15(28-3)14-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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0.300n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253021
PNG
(US9481685, 4)
Show SMILES CCN(CC)C(=O)C1Sc2c(F)cccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-18-14-8-5-6-11-17(14)26(13-12-23)19(18)15-9-7-10-16(24)20(15)28-21/h5-11,21H,3-4,12-13H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50390861
PNG
(CHEMBL2070808)
Show SMILES FCC(=O)N(Cc1cccc2CCOc12)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H20FNO3/c24-15-22(26)25(16-18-8-6-7-17-13-14-27-23(17)18)20-11-4-5-12-21(20)28-19-9-2-1-3-10-19/h1-12H,13-16H2
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0.310n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253022
PNG
(US9481685, 5)
Show SMILES CCN(CC)C(=O)C1Sc2cc(F)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-19-15-7-5-6-8-17(15)26(12-11-23)20(19)16-10-9-14(24)13-18(16)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491013
PNG
(CHEMBL2377338)
Show SMILES CCN(CC)C(=O)C1Sc2c(OC)cccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-15-9-6-7-11-17(15)26(14-13-24)20(19)16-10-8-12-18(28-3)21(16)29-22/h6-12,22H,4-5,13-14H2,1-3H3
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0.330n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491007
PNG
(CHEMBL2377334)
Show SMILES CCN(CC)C(=O)C1Sc2cc(O)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2O2S/c1-3-24(4-2)22(27)21-19-15-7-5-6-8-17(15)25(12-11-23)20(19)16-10-9-14(26)13-18(16)28-21/h5-10,13,21,26H,3-4,11-12H2,1-2H3
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0.330n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491000
PNG
(CHEMBL2377345)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2OS/c1-4-25(5-2)23(27)22-20-17-14-15(3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)28-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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0.340n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491004
PNG
(CHEMBL2377357)
Show SMILES CCN(CC)C(=O)C1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C
Show InChI InChI=1S/C23H25FN2O2S/c1-4-26(5-2)23(27)22-20-16-8-6-7-9-18(16)25(3)21(20)17-11-10-15(28-13-12-24)14-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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0.350n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491022
PNG
(CHEMBL2377360)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCF
Show InChI InChI=1S/C23H25FN2OS/c1-3-25(4-2)23(27)22-20-16-10-5-7-12-18(16)26(15-9-14-24)21(20)17-11-6-8-13-19(17)28-22/h5-8,10-13,22H,3-4,9,14-15H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363514
PNG
(CHEMBL1946091)
Show SMILES CCCN(CC)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C20H27FN2O/c1-3-13-22(4-2)20(24)16-9-7-11-18-19(16)15-8-5-6-10-17(15)23(18)14-12-21/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3
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0.380n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491016
PNG
(CHEMBL2377332)
Show SMILES CCN(CC)C(=O)C1Sc2cc(NC(C)=O)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C24H26FN3O2S/c1-4-27(5-2)24(30)23-21-17-8-6-7-9-19(17)28(13-12-25)22(21)18-11-10-16(26-15(3)29)14-20(18)31-23/h6-11,14,23H,4-5,12-13H2,1-3H3,(H,26,29)
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0.390n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50490997
PNG
(CHEMBL2377337)
Show SMILES CCN(CC)C(=O)C1Sc2ccc(F)cc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-19-15-7-5-6-8-17(15)26(12-11-23)20(19)16-13-14(24)9-10-18(16)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
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0.390n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253024
PNG
(US9481685, 2)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccc(OC)cc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-16-11-10-15(28-3)14-18(16)26(13-12-24)21(20)17-8-6-7-9-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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0.400n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
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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0.430n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50390842
PNG
(CHEMBL2070788)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC2CCCC2)c1
Show InChI InChI=1S/C22H26FNO4/c1-26-18-11-12-20(27-2)16(13-18)15-24(22(25)14-23)19-9-5-6-10-21(19)28-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14-15H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491006
PNG
(CHEMBL2377346)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(Br)ccc1n2CCF
Show InChI InChI=1S/C22H22BrFN2OS/c1-3-25(4-2)22(27)21-19-16-13-14(23)9-10-17(16)26(12-11-24)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
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0.470n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491014
PNG
(CHEMBL2377347)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(F)ccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-19-16-13-14(24)9-10-17(16)26(12-11-23)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
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0.490n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253023
PNG
(US9481685, 6)
Show SMILES CCOc1ccc2n(CCF)c-3c(C(Sc4ccccc-34)C(=O)N(CC)CC)c2c1
Show InChI InChI=1S/C24H27FN2O2S/c1-4-26(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)27(14-13-25)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23H,4-6,13-14H2,1-3H3
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0.520n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491015
PNG
(CHEMBL2377359)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCCF
Show InChI InChI=1S/C24H27FN2OS/c1-3-26(4-2)24(28)23-21-17-11-5-7-13-19(17)27(16-10-9-15-25)22(21)18-12-6-8-14-20(18)29-23/h5-8,11-14,23H,3-4,9-10,15-16H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491012
PNG
(CHEMBL2377333)
Show SMILES CCN(CC)C(=O)C1Sc2ccc(O)cc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2O2S/c1-3-24(4-2)22(27)21-19-15-7-5-6-8-17(15)25(12-11-23)20(19)16-13-14(26)9-10-18(16)28-21/h5-10,13,21,26H,3-4,11-12H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
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0.670n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363516
PNG
(CHEMBL1946093)
Show SMILES CCCN(CCC)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C21H29FN2O/c1-3-13-23(14-4-2)21(25)17-9-7-11-19-20(17)16-8-5-6-10-18(16)24(19)15-12-22/h5-6,8,10,17H,3-4,7,9,11-15H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363517
PNG
(CHEMBL1946094)
Show SMILES CCCCCCN(CCCCCC)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C27H41FN2O/c1-3-5-7-11-19-29(20-12-8-6-4-2)27(31)23-15-13-17-25-26(23)22-14-9-10-16-24(22)30(25)21-18-28/h9-10,14,16,23H,3-8,11-13,15,17-21H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363519
PNG
(CHEMBL1946096)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C24H27FN2O/c1-2-26(17-18-9-4-3-5-10-18)24(28)20-12-8-14-22-23(20)19-11-6-7-13-21(19)27(22)16-15-25/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3
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0.730n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491003
PNG
(CHEMBL2377355)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccccc3c12
Show InChI InChI=1S/C20H20N2OS/c1-3-22(4-2)20(23)19-17-13-9-5-7-11-15(13)21-18(17)14-10-6-8-12-16(14)24-19/h5-12,19,21H,3-4H2,1-2H3
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0.760n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50490994
PNG
(CHEMBL2377327)
Show SMILES CCN(CC)C(=O)C1c2ccccc2-c2[nH]c3ccccc3c12
Show InChI InChI=1S/C20H20N2O/c1-3-22(4-2)20(23)18-13-9-5-6-10-14(13)19-17(18)15-11-7-8-12-16(15)21-19/h5-12,18,21H,3-4H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363523
PNG
(CHEMBL1944785)
Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CCF |r|
Show InChI InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253020
PNG
(US9481685, 3)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-16-10-8-11-17(28-3)20(16)26(14-13-24)21(19)15-9-6-7-12-18(15)29-22/h6-12,22H,4-5,13-14H2,1-3H3
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0.930n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50390859
PNG
(CHEMBL2070806)
Show SMILES CC(=O)N(Cc1cccnc1OCCF)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C22H21FN2O3/c1-17(26)25(16-18-8-7-14-24-22(18)27-15-13-23)20-11-5-6-12-21(20)28-19-9-3-2-4-10-19/h2-12,14H,13,15-16H2,1H3
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1.02n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50363504
PNG
(CHEMBL1945634)
Show SMILES CCN(CC)C(=O)C1CCCc2c1c1ccc(F)cc1n2CCF
Show InChI InChI=1S/C19H24F2N2O/c1-3-22(4-2)19(24)15-6-5-7-16-18(15)14-9-8-13(21)12-17(14)23(16)11-10-20/h8-9,12,15H,3-7,10-11H2,1-2H3
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1.05n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253018
PNG
(US9481685, 7)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1c(OC)cccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-19-16(10-8-11-17(19)28-3)26(14-13-24)21(20)15-9-6-7-12-18(15)29-22/h6-12,22H,4-5,13-14H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491008
PNG
(CHEMBL2377342)
Show SMILES CCN(CC)C(=O)C1Sc2cccc(OC)c2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-15-9-6-7-10-16(15)26(14-13-24)21(19)20-17(28-3)11-8-12-18(20)29-22/h6-12,22H,4-5,13-14H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50491020
PNG
(CHEMBL2377328)
Show SMILES CCN(CC)C(=O)C1Cc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O/c1-3-25(4-2)23(27)19-15-16-9-5-6-10-17(16)22-21(19)18-11-7-8-12-20(18)26(22)14-13-24/h5-12,19H,3-4,13-15H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50390863
PNG
(CHEMBL2070810)
Show SMILES FCC(=O)N(Cc1cccc2OCCOc12)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H20FNO4/c24-15-22(26)25(16-17-7-6-12-21-23(17)28-14-13-27-21)19-10-4-5-11-20(19)29-18-8-2-1-3-9-18/h1-12H,13-16H2
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1.14n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50390839
PNG
(CHEMBL2070785)
Show SMILES COc1cccc(CN(C(C)=O)c2cnccc2Oc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-7-6-10-19(13-17)25-2)20-14-22-12-11-21(20)26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
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1.14n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253019
PNG
(US9481685, 1)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-17-14-15(28-3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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1.17n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM253019
PNG
(US9481685, 1)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-17-14-15(28-3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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1.24n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50363515
PNG
(CHEMBL1946092)
Show SMILES CN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O/c1-25(16-17-8-3-2-4-9-17)23(27)19-11-7-13-21-22(19)18-10-5-6-12-20(18)26(21)15-14-24/h2-6,8-10,12,19H,7,11,13-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50490996
PNG
(CHEMBL2377331)
Show SMILES CCN(CC)C(=O)C1Sc2cc(ccc2-c2c1c1ccccc1n2CCF)N(CCF)C(C)=O
Show InChI InChI=1S/C26H29F2N3O2S/c1-4-29(5-2)26(33)25-23-19-8-6-7-9-21(19)31(15-13-28)24(23)20-11-10-18(16-22(20)34-25)30(14-12-27)17(3)32/h6-11,16,25H,4-5,12-15H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.057
BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
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