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Compile Data Set for Download or QSAR

Found 471 hits with Last Name = 'dinallo' and Initial = 'r'   
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 0.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human foreskin fibroblasts assessed as inhibition of IL-1-induced IL-6 production by trans-repression ...


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 0.510n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 0.510n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356050
PNG
(CHEMBL1911650)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-21(2,18-10-16(24)5-7-20(18)31-3)13-22(30,23(25,26)27)11-17-9-15-8-14(12-28)4-6-19(15)29-17/h4-10,29-30H,11,13H2,1-3H3/t22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326943
PNG
((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-6-7-26-11-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3/t20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326945
PNG
((R)-2-((1H-pyrrolo[3,2-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-11-26-7-6-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3/t20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326932
PNG
(2-((1H-pyrrolo[3,2-b]pyridin-1-yl)methyl)-1,1,1-tr...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,15-11-14(22)6-7-18(15)29-3)12-20(28,21(23,24)25)13-27-10-8-16-17(27)5-4-9-26-16/h4-11,28H,12-13H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50001768
PNG
(CHEMBL3233281)
Show SMILES Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(C)(C)C |r|
Show InChI InChI=1S/C24H31FN2O/c1-16-7-8-18(25)12-20(16)23(5,6)15-24(28,22(2,3)4)13-19-11-17-14-26-10-9-21(17)27-19/h7-12,14,27-28H,13,15H2,1-6H3/t24-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326945
PNG
((R)-2-((1H-pyrrolo[3,2-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-11-26-7-6-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3/t20-/m0/s1
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Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356060
PNG
(CHEMBL1911664)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H25F3N2O4S/c1-23(2,20-11-19(35(3,32)33)10-17-6-7-34-22(17)20)14-24(31,25(26,27)28)12-18-9-16-5-4-15(13-29)8-21(16)30-18/h4-5,8-11,30-31H,6-7,12,14H2,1-3H3/t24-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326946
PNG
(4-Fluoro-2-[(R)-4,4,4-trifluoro-3-hydroxy-1,1-dime...)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
Show InChI InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-5-6-25-10-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326947
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydrobenzofuran-...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
Show InChI InChI=1S/C22H22F4N2O2/c1-20(2,17-9-15(23)7-14-4-6-30-19(14)17)12-21(29,22(24,25)26)10-16-8-13-3-5-27-11-18(13)28-16/h3,5,7-9,11,28-29H,4,6,10,12H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326932
PNG
(2-((1H-pyrrolo[3,2-b]pyridin-1-yl)methyl)-1,1,1-tr...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,15-11-14(22)6-7-18(15)29-3)12-20(28,21(23,24)25)13-27-10-8-16-17(27)5-4-9-26-16/h4-11,28H,12-13H2,1-3H3
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n/an/a 2.80n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449077
PNG
(CHEMBL3126951)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-14(21)7-16(12)18(2,3)11-19(28,20(22,23)24)8-15-6-13-9-25-26-10-17(13)27-15/h4-7,9-10,27-28H,8,11H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356050
PNG
(CHEMBL1911650)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-21(2,18-10-16(24)5-7-20(18)31-3)13-22(30,23(25,26)27)11-17-9-15-8-14(12-28)4-6-19(15)29-17/h4-10,29-30H,11,13H2,1-3H3/t22-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
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

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326948
PNG
(4-Fluoro-2-[(R)-4,4,4-trifluoro-3-hydroxy-1,1-dime...)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
Show InChI InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-10-25-6-5-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326946
PNG
(4-Fluoro-2-[(R)-4,4,4-trifluoro-3-hydroxy-1,1-dime...)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
Show InChI InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-5-6-25-10-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
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 3.40n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449056
PNG
(CHEMBL3126949)
Show SMILES Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-13(21)6-15(12)18(2,3)10-19(28,20(22,23)24)8-14-7-16-17(27-14)9-25-11-26-16/h4-7,9,11,27-28H,8,10H2,1-3H3/t19-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449074
PNG
(CHEMBL3126954)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cncnc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O2/c1-18(2,15-7-13(21)4-5-16(15)29-3)10-19(28,20(22,23)24)8-14-6-12-9-25-11-26-17(12)27-14/h4-7,9,11,28H,8,10H2,1-3H3,(H,25,26,27)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50001763
PNG
(CHEMBL3233277)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C
Show InChI InChI=1S/C24H31FN2O2/c1-22(2,3)24(28,13-18-11-16-14-26-10-9-20(16)27-18)15-23(4,5)19-12-17(25)7-8-21(19)29-6/h7-12,14,27-28H,13,15H2,1-6H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326933
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-6-7-26-11-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326933
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-6-7-26-11-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3
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n/an/a 4.40n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326949
PNG
(4-(2,3-Dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-m...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C22H23F3N2O2/c1-20(2,17-5-3-4-14-7-9-29-19(14)17)13-21(28,22(23,24)25)11-16-10-15-6-8-26-12-18(15)27-16/h3-6,8,10,12,27-28H,7,9,11,13H2,1-2H3
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n/an/a 4.5n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326948
PNG
(4-Fluoro-2-[(R)-4,4,4-trifluoro-3-hydroxy-1,1-dime...)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
Show InChI InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-10-25-6-5-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449057
PNG
(CHEMBL3126948)
Show SMILES Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2nnccc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-13(21)8-15(12)18(2,3)11-19(28,20(22,23)24)10-14-9-17-16(26-14)6-7-25-27-17/h4-9,26,28H,10-11H2,1-3H3/t19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449060
PNG
(CHEMBL3126945)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
Show InChI InChI=1S/C21H21ClF3N3O2/c1-19(2,15-6-13(22)5-12-3-4-30-18(12)15)10-20(29,21(23,24)25)8-14-7-16-17(28-14)9-26-11-27-16/h5-7,9,11,28-29H,3-4,8,10H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449063
PNG
(CHEMBL3126942)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O
Show InChI InChI=1S/C19H19F4N3O2/c1-17(2,13-4-3-11(20)5-16(13)27)9-18(28,19(21,22)23)7-12-6-14-15(26-12)8-24-10-25-14/h3-6,8,10,26-28H,7,9H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449067
PNG
(CHEMBL3126938)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C24H28F4N4O2/c1-15-4-5-16(25)10-18(15)22(2,3)14-23(33,24(26,27)28)12-17-11-19-20(30-17)13-29-21(31-19)32-6-8-34-9-7-32/h4-5,10-11,13,30,33H,6-9,12,14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449069
PNG
(CHEMBL3126936)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C25H24F4N4O/c1-15-6-7-17(26)9-19(15)23(2,3)14-24(34,25(27,28)29)11-18-10-20-21(32-18)13-31-22(33-20)16-5-4-8-30-12-16/h4-10,12-13,32,34H,11,14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356059
PNG
(CHEMBL1911662)
Show SMILES CC(C)(CC(O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C25H25F3N2O4S/c1-23(2,20-11-19(35(3,32)33)10-17-6-7-34-22(17)20)14-24(31,25(26,27)28)12-18-9-16-5-4-15(13-29)8-21(16)30-18/h4-5,8-11,30-31H,6-7,12,14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449077
PNG
(CHEMBL3126951)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-14(21)7-16(12)18(2,3)11-19(28,20(22,23)24)8-15-6-13-9-25-26-10-17(13)27-15/h4-7,9-10,27-28H,8,11H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human fibroblasts assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50001766
PNG
(CHEMBL3233279)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C
Show InChI InChI=1S/C24H31FN2O/c1-16-7-8-18(25)12-20(16)23(5,6)15-24(28,22(2,3)4)13-19-11-17-14-26-10-9-21(17)27-19/h7-12,14,27-28H,13,15H2,1-6H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356044
PNG
(CHEMBL1911644)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(cccc2[nH]1)C#N)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O2/c1-21(2,18-9-15(24)7-8-20(18)31-3)13-22(30,23(25,26)27)11-16-10-17-14(12-28)5-4-6-19(17)29-16/h4-10,29-30H,11,13H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356063
PNG
(CHEMBL1911661)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C25H25F3N2O4S/c1-23(2,20-11-19(35(3,32)33)10-16-6-7-34-22(16)20)14-24(31,25(26,27)28)12-18-9-17-8-15(13-29)4-5-21(17)30-18/h4-5,8-11,30-31H,6-7,12,14H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449070
PNG
(CHEMBL3126935)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N3O/c1-16-9-10-18(27)11-20(16)24(2,3)15-25(34,26(28,29)30)13-19-12-21-22(32-19)14-31-23(33-21)17-7-5-4-6-8-17/h4-12,14,32,34H,13,15H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356062
PNG
(CHEMBL1911660)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C24H26F3NO4S/c1-22(2,19-12-18(33(3,30)31)11-16-8-9-32-21(16)19)14-23(29,24(25,26)27)13-17-10-15-6-4-5-7-20(15)28-17/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human foreskin fibroblasts assessed as inhibition of IL-1-induced IL-6 production by trans-repression ...


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449076
PNG
(CHEMBL3126952)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(nnc2[nH]1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N3O/c1-16-9-10-19(27)13-21(16)24(2,3)15-25(34,26(28,29)30)14-20-11-18-12-22(32-33-23(18)31-20)17-7-5-4-6-8-17/h4-13,34H,14-15H2,1-3H3,(H,31,33)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human fibroblasts assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326943
PNG
((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-6-7-26-11-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3/t20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356042
PNG
(CHEMBL1911548)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO2/c1-14-6-5-7-19-17(14)11-16(28-19)12-22(29,23(25,26)27)13-21(2,3)18-10-15(24)8-9-20(18)30-4/h5-11,28-29H,12-13H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50001764
PNG
(CHEMBL3233278)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
Show InChI InChI=1S/C23H27FN2O2/c1-22(2,19-11-17(24)6-7-21(19)28-3)14-23(27,16-4-5-16)12-18-10-15-13-25-9-8-20(15)26-18/h6-11,13,16,26-27H,4-5,12,14H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326934
PNG
(2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c1-20(2,17-11-15(23)8-9-19(17)29-3)13-21(28,22(24,25)26)12-16-10-14-6-4-5-7-18(14)27-16/h4-11,27-28H,12-13H2,1-3H3
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n/an/a 6.60n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326950
PNG
(2-(4-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cccnc1
Show InChI InChI=1S/C25H24F3N3O2/c1-23(2,20-11-16(5-6-22(20)32)18-4-3-8-29-13-18)15-24(33,25(26,27)28)12-19-10-17-7-9-30-14-21(17)31-19/h3-11,13-14,31-33H,12,15H2,1-2H3
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n/an/a 6.60n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449061
PNG
(CHEMBL3126944)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
Show InChI InChI=1S/C21H21F4N3O2/c1-19(2,15-6-13(22)5-12-3-4-30-18(12)15)10-20(29,21(23,24)25)8-14-7-16-17(28-14)9-26-11-27-16/h5-7,9,11,28-29H,3-4,8,10H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449064
PNG
(CHEMBL3126941)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O
Show InChI InChI=1S/C19H19F4N3O2/c1-17(2,13-5-11(20)3-4-16(13)27)9-18(28,19(21,22)23)7-12-6-14-15(26-12)8-24-10-25-14/h3-6,8,10,26-28H,7,9H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449055
PNG
(CHEMBL3126950)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nnccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-13(21)8-15(12)18(2,3)11-19(28,20(22,23)24)10-14-9-17-16(26-14)6-7-25-27-17/h4-9,26,28H,10-11H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
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