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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'walton' and Initial = 's'   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Translocator protein


(Rattus norvegicus (rat))
BDBM50491018
PNG
(CHEMBL2377351)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccnc1n2CCF
Show InChI InChI=1S/C21H22FN3OS/c1-3-24(4-2)21(26)19-17-15-9-7-12-23-20(15)25(13-11-22)18(17)14-8-5-6-10-16(14)27-19/h5-10,12,19H,3-4,11,13H2,1-2H3
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3.90n/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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5.20n/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))
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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5.24n/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))
BDBM50491019
PNG
(CHEMBL2377350)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccc(OC)nc1n2CCF
Show InChI InChI=1S/C22H24FN3O2S/c1-4-25(5-2)22(27)20-18-15-10-11-17(28-3)24-21(15)26(13-12-23)19(18)14-8-6-7-9-16(14)29-20/h6-11,20H,4-5,12-13H2,1-3H3
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8.40n/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
Translocator protein


(Rattus norvegicus (rat))
BDBM50490995
PNG
(CHEMBL2377330)
Show SMILES CCN(CC)C(=O)C1c2c(-c3ccccc3S1(=O)=O)n(CCF)c1ccccc21
Show InChI InChI=1S/C22H23FN2O3S/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)29(21,27)28/h5-12,21H,3-4,13-14H2,1-2H3
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8.80n/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))
BDBM50491009
PNG
(CHEMBL2377221)
Show SMILES CCN(CC)C(=O)C1(C)Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2OS/c1-4-25(5-2)22(27)23(3)20-16-10-6-8-12-18(16)26(15-14-24)21(20)17-11-7-9-13-19(17)28-23/h6-13H,4-5,14-15H2,1-3H3
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16.8n/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))
BDBM50491002
PNG
(CHEMBL2377349)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(O)ccc1n2CCF
Show InChI InChI=1S/C22H23FN2O2S/c1-3-24(4-2)22(27)21-19-16-13-14(26)9-10-17(16)25(12-11-23)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21,26H,3-4,11-12H2,1-2H3
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19n/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))
BDBM50491009
PNG
(CHEMBL2377221)
Show SMILES CCN(CC)C(=O)C1(C)Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2OS/c1-4-25(5-2)22(27)23(3)20-16-10-6-8-12-18(16)26(15-14-24)21(20)17-11-7-9-13-19(17)28-23/h6-13H,4-5,14-15H2,1-3H3
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30n/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))
BDBM50491009
PNG
(CHEMBL2377221)
Show SMILES CCN(CC)C(=O)C1(C)Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2OS/c1-4-25(5-2)22(27)23(3)20-16-10-6-8-12-18(16)26(15-14-24)21(20)17-11-7-9-13-19(17)28-23/h6-13H,4-5,14-15H2,1-3H3
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30.2n/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))
BDBM50491001
PNG
(CHEMBL2377348)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccc(NC(C)=O)cc3c12
Show InChI InChI=1S/C22H23N3O2S/c1-4-25(5-2)22(27)21-19-16-12-14(23-13(3)26)10-11-17(16)24-20(19)15-8-6-7-9-18(15)28-21/h6-12,21,24H,4-5H2,1-3H3,(H,23,26)
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59n/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))
BDBM50491023
PNG
(CHEMBL2377356)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2Cc1cn(CCF)nn1
Show InChI InChI=1S/C25H26FN5OS/c1-3-29(4-2)25(32)24-22-18-9-5-7-11-20(18)31(16-17-15-30(14-13-26)28-27-17)23(22)19-10-6-8-12-21(19)33-24/h5-12,15,24H,3-4,13-14,16H2,1-2H3
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64n/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))
BDBM50491010
PNG
(CHEMBL2377326)
Show SMILES CCN(CC)C(=O)CC1c2cc(OC)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C24H27FN2O2/c1-4-26(5-2)22(28)15-20-19-14-16(29-3)10-11-17(19)24-23(20)18-8-6-7-9-21(18)27(24)13-12-25/h6-11,14,20H,4-5,12-13,15H2,1-3H3
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154n/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))
BDBM50491005
PNG
(CHEMBL2377358)
Show SMILES CCN(CCF)C(=O)c1sc2ccccc2c2nc3ccccc3c12
Show InChI InChI=1S/C20H17FN2OS/c1-2-23(12-11-21)20(24)19-17-13-7-3-5-9-15(13)22-18(17)14-8-4-6-10-16(14)25-19/h3-10H,2,11-12H2,1H3
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297n/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))
BDBM50491011
PNG
(CHEMBL2377329)
Show SMILES CCN(CC)C(=O)C1(C)c2c(-c3ccccc3S1(=O)=O)n(CCF)c1ccccc21
Show InChI InChI=1S/C23H25FN2O3S/c1-4-25(5-2)22(27)23(3)20-16-10-6-8-12-18(16)26(15-14-24)21(20)17-11-7-9-13-19(17)30(23,28)29/h6-13H,4-5,14-15H2,1-3H3
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410n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor


J Med Chem 43: 19-21 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2TPK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50096154
PNG
(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-6b-...)
Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S[C@@H]1CCOC1=O |c:15,t:11|
Show InChI InChI=1S/C26H32F2O6S/c1-22(2)33-20-11-14-15-10-17(27)16-9-13(29)5-7-23(16,3)25(15,28)19(30)12-24(14,4)26(20,34-22)35-18-6-8-32-21(18)31/h5,7,9,14-15,17-20,30H,6,8,10-12H2,1-4H3/t14?,15?,17-,18+,19-,20+,23-,24-,25-,26-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Affinity for human glucocorticoid receptor


J Med Chem 44: 602-12 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86JV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50083757
PNG
(CHEMBL302366 | Isomer of 4b,12-Difluoro-5-hydroxy-...)
Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC1CCOC1=O |c:15,t:11|
Show InChI InChI=1S/C28H34F2O7S/c1-24(2)36-22-11-15-16-10-18(29)17-9-14(31)5-7-25(17,3)27(16,30)20(32)12-26(15,4)28(22,37-24)21(33)13-38-19-6-8-35-23(19)34/h5,7,9,15-16,18-20,22,32H,6,8,10-13H2,1-4H3/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor


J Med Chem 43: 19-21 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2TPK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50083757
PNG
(CHEMBL302366 | Isomer of 4b,12-Difluoro-5-hydroxy-...)
Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC1CCOC1=O |c:15,t:11|
Show InChI InChI=1S/C28H34F2O7S/c1-24(2)36-22-11-15-16-10-18(29)17-9-14(31)5-7-25(17,3)27(16,30)20(32)12-26(15,4)28(22,37-24)21(33)13-38-19-6-8-35-23(19)34/h5,7,9,15-16,18-20,22,32H,6,8,10-13H2,1-4H3/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor


J Med Chem 43: 19-21 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2TPK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50096153
PNG
(4b,12-Difluoro-5-hydroxy-4a,6a-dimethyl-6b-(2-oxo-...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S[C@@H]1CCOC1=O |t:12|
Show InChI InChI=1S/C27H36F2O6S/c1-4-5-22-34-21-12-15-16-11-18(28)17-10-14(30)6-8-24(17,2)26(16,29)20(31)13-25(15,3)27(21,35-22)36-19-7-9-33-23(19)32/h10,15-16,18-22,31H,4-9,11-13H2,1-3H3/t15?,16?,18-,19+,20-,21+,22+,24-,25-,26-,27-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Affinity for human glucocorticoid receptor


J Med Chem 44: 602-12 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86JV
More data for this
Ligand-Target Pair
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