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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'reilly' and Initial = 'p'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201104
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219447
PNG
(2-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C23H25F4NO2/c1-14-8-15(2)18(12-28)16(9-14)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219457
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C23H25F4NO2/c1-14-8-16(9-15(2)18(14)12-28)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219444
PNG
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,28H,10,12H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219449
PNG
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H21ClF4O3/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,11,28H,10,12H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219471
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H22F4O3/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,12,27H,11,13H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219453
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C25H23F4NO2/c1-23(2,21-12-18(26)10-11-22(21)32-3)15-24(31,25(27,28)29)13-16-8-9-17(14-30)20-7-5-4-6-19(16)20/h4-12,31H,13,15H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219446
PNG
(3-fluoro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H20F5NO2/c1-19(2,16-9-15(22)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)23/h4-9,28H,10,12H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50201104
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219451
PNG
(3-chloro-5-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(c1)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,17-9-16(23)4-5-18(17)29-3)12-20(28,21(24,25)26)10-13-6-14(11-27)8-15(22)7-13/h4-9,28H,10,12H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219467
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,27H,11,13H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219465
PNG
(2-(2,5-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,15-9-14(23)5-7-17(15)28-3)11-19(27,20(24,25)26)10-12-8-13(21)4-6-16(12)22/h4-9,27H,10-11H2,1-3H3
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n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219468
PNG
(2-(3-chloro-5-methylbenzyl)-1,1,1-trifluoro-4-(5-f...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H23ClF4O2/c1-13-7-14(9-15(22)8-13)11-20(27,21(24,25)26)12-19(2,3)17-10-16(23)5-6-18(17)28-4/h5-10,27H,11-12H2,1-4H3
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n/an/a 46n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219452
PNG
(2-(3,5-dimethylbenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C22H26F4O2/c1-14-8-15(2)10-16(9-14)12-21(27,22(24,25)26)13-20(3,4)18-11-17(23)6-7-19(18)28-5/h6-11,27H,12-13H2,1-5H3
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n/an/a 55n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219445
PNG
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)c2ccccc12)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C25H26F4O2/c1-16-9-10-17(20-8-6-5-7-19(16)20)14-24(30,25(27,28)29)15-23(2,3)21-13-18(26)11-12-22(21)31-4/h5-13,30H,14-15H2,1-4H3
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n/an/a 58n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219460
PNG
(2-(3,5-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,16-9-15(23)4-5-17(16)28-3)11-19(27,20(24,25)26)10-12-6-13(21)8-14(22)7-12/h4-9,27H,10-11H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219466
PNG
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(C)ccc2ccccc12)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C25H26F4O2/c1-16-9-10-17-7-5-6-8-19(17)20(16)14-24(30,25(27,28)29)15-23(2,3)21-13-18(26)11-12-22(21)31-4/h5-13,30H,14-15H2,1-4H3
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n/an/a 64n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219458
PNG
(2-(2,4-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1Cl)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,15-9-14(23)6-7-17(15)28-3)11-19(27,20(24,25)26)10-12-4-5-13(21)8-16(12)22/h4-9,27H,10-11H2,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219459
PNG
(2-(2,3-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1Cl)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,14-9-13(23)7-8-16(14)28-3)11-19(27,20(24,25)26)10-12-5-4-6-15(21)17(12)22/h4-9,27H,10-11H2,1-3H3
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n/an/a 76n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219454
PNG
(3-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(c1)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)7-8-18(17)28-3)13-20(27,21(23,24)25)11-14-5-4-6-15(9-14)12-26/h4-10,27H,11,13H2,1-3H3
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n/an/a 81n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219469
PNG
(2-(2-chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-m...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Cl)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H21ClF4O2/c1-18(2,15-10-14(22)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)21/h4-10,26H,11-12H2,1-3H3
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n/an/a 101n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219474
PNG
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc2ccccc12)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C24H24F4O2/c1-22(2,20-13-18(25)11-12-21(20)30-3)15-23(29,24(26,27)28)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13,29H,14-15H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50201104
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)
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n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219444
PNG
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,28H,10,12H2,1-3H3
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n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219475
PNG
(2-(2-bromobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-me...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Br)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H21BrF4O2/c1-18(2,15-10-14(22)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)21/h4-10,26H,11-12H2,1-3H3
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n/an/a 205n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219452
PNG
(2-(3,5-dimethylbenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C22H26F4O2/c1-14-8-15(2)10-16(9-14)12-21(27,22(24,25)26)13-20(3,4)18-11-17(23)6-7-19(18)28-5/h6-11,27H,12-13H2,1-5H3
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n/an/a 220n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219447
PNG
(2-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C23H25F4NO2/c1-14-8-15(2)18(12-28)16(9-14)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3
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n/an/a 250n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219448
PNG
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C24H24F4O2/c1-22(2,20-13-19(25)10-11-21(20)30-3)15-23(29,24(26,27)28)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-13,29H,14-15H2,1-3H3
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n/an/a 275n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219446
PNG
(3-fluoro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H20F5NO2/c1-19(2,16-9-15(22)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)23/h4-9,28H,10,12H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219457
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C23H25F4NO2/c1-14-8-16(9-15(2)18(14)12-28)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3
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n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219444
PNG
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,28H,10,12H2,1-3H3
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n/an/a 320n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219453
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C25H23F4NO2/c1-23(2,21-12-18(26)10-11-22(21)32-3)15-24(31,25(27,28)29)13-16-8-9-17(14-30)20-7-5-4-6-19(16)20/h4-12,31H,13,15H2,1-3H3
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n/an/a 325n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219462
PNG
(2-(4-chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-m...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H21ClF4O2/c1-18(2,16-10-15(22)8-9-17(16)27-3)12-19(26,20(23,24)25)11-13-4-6-14(21)7-5-13/h4-10,26H,11-12H2,1-3H3
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n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219449
PNG
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H21ClF4O3/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,11,28H,10,12H2,1-3H3
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n/an/a 345n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219467
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,27H,11,13H2,1-3H3
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n/an/a 345n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219452
PNG
(2-(3,5-dimethylbenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C22H26F4O2/c1-14-8-15(2)10-16(9-14)12-21(27,22(24,25)26)13-20(3,4)18-11-17(23)6-7-19(18)28-5/h6-11,27H,12-13H2,1-5H3
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n/an/a>354n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219470
PNG
(2-(2-fluorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-m...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H21F5O2/c1-18(2,15-10-14(21)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)22/h4-10,26H,11-12H2,1-3H3
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n/an/a 370n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219457
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C23H25F4NO2/c1-14-8-16(9-15(2)18(14)12-28)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3
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n/an/a 390n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219454
PNG
(3-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(c1)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)7-8-18(17)28-3)13-20(27,21(23,24)25)11-14-5-4-6-15(9-14)12-26/h4-10,27H,11,13H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219453
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C25H23F4NO2/c1-23(2,21-12-18(26)10-11-22(21)32-3)15-24(31,25(27,28)29)13-16-8-9-17(14-30)20-7-5-4-6-19(16)20/h4-12,31H,13,15H2,1-3H3
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n/an/a 430n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219466
PNG
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(C)ccc2ccccc12)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C25H26F4O2/c1-16-9-10-17-7-5-6-8-19(17)20(16)14-24(30,25(27,28)29)15-23(2,3)21-13-18(26)11-12-22(21)31-4/h5-13,30H,14-15H2,1-4H3
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n/an/a 450n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219446
PNG
(3-fluoro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H20F5NO2/c1-19(2,16-9-15(22)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)23/h4-9,28H,10,12H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219467
PNG
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1)C#N)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,27H,11,13H2,1-3H3
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n/an/a 510n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219475
PNG
(2-(2-bromobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-me...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Br)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H21BrF4O2/c1-18(2,15-10-14(22)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)21/h4-10,26H,11-12H2,1-3H3
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n/an/a>512n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219475
PNG
(2-(2-bromobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-me...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Br)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H21BrF4O2/c1-18(2,15-10-14(22)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)21/h4-10,26H,11-12H2,1-3H3
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n/an/a>512n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50219465
PNG
(2-(2,5-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,15-9-14(23)5-7-17(15)28-3)11-19(27,20(24,25)26)10-12-8-13(21)4-6-16(12)22/h4-9,27H,10-11H2,1-3H3
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n/an/a 535n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219476
PNG
(2-(3-chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-m...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C20H21ClF4O2/c1-18(2,16-10-15(22)7-8-17(16)27-3)12-19(26,20(23,24)25)11-13-5-4-6-14(21)9-13/h4-10,26H,11-12H2,1-3H3
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219473
PNG
(1,1,1-trifluoro-4-(5-fluoro-2-methoxy-phenyl)-4-me...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F |w:13.14|
Show InChI InChI=1S/C21H24F4O2/c1-14-6-5-7-15(10-14)12-20(26,21(23,24)25)13-19(2,3)17-11-16(22)8-9-18(17)27-4/h5-11,26H,12-13H2,1-4H3
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n/an/a 580n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell


Bioorg Med Chem Lett 17: 5025-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2
More data for this
Ligand-Target Pair
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