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Compile Data Set for Download or QSAR

Found 177 hits Enz. Inhib. hit(s) with all data for entry = 50045018   
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 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041973
PNG
(CHEMBL3358937)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O
Show InChI InChI=1/C25H30F3N3O4S/c1-23(2,19-6-4-5-7-21(19)36(3,33)34)16-24(32,25(26,27)28)14-18-12-17-13-22(29-15-20(17)30-18)31-8-10-35-11-9-31/h4-7,12-13,15,30,32H,8-11,14,16H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041957
PNG
(CHEMBL3358935)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1/C25H29F4N3O3/c1-23(2,19-12-17(26)4-5-21(19)34-3)15-24(33,25(27,28)29)13-18-10-16-11-22(30-14-20(16)31-18)32-6-8-35-9-7-32/h4-5,10-12,14,31,33H,6-9,13,15H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041957
PNG
(CHEMBL3358935)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1/C25H29F4N3O3/c1-23(2,19-12-17(26)4-5-21(19)34-3)15-24(33,25(27,28)29)13-18-10-16-11-22(30-14-20(16)31-18)32-6-8-35-9-7-32/h4-5,10-12,14,31,33H,6-9,13,15H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041902
PNG
(CHEMBL3358925)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C27H26F4N2O/c1-17-9-10-20(28)13-22(17)25(2,3)16-26(34,27(29,30)31)14-21-11-19-12-23(32-15-24(19)33-21)18-7-5-4-6-8-18/h4-13,15,33-34H,14,16H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041907
PNG
(CHEMBL3358928)
Show SMILES CC(C)Oc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
Show InChI InChI=1/C24H28F4N2O2/c1-14(2)32-21-9-16-8-18(30-20(16)12-29-21)11-23(31,24(26,27)28)13-22(4,5)19-10-17(25)7-6-15(19)3/h6-10,12,14,30-31H,11,13H2,1-5H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041908
PNG
(CHEMBL3358929)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1/C25H29F4N3O2/c1-16-4-5-18(26)12-20(16)23(2,3)15-24(33,25(27,28)29)13-19-10-17-11-22(30-14-21(17)31-19)32-6-8-34-9-7-32/h4-5,10-12,14,31,33H,6-9,13,15H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041908
PNG
(CHEMBL3358929)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1/C25H29F4N3O2/c1-16-4-5-18(26)12-20(16)23(2,3)15-24(33,25(27,28)29)13-19-10-17-11-22(30-14-21(17)31-19)32-6-8-34-9-7-32/h4-5,10-12,14,31,33H,6-9,13,15H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041972
PNG
(CHEMBL3352882)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1C(N)=O
Show InChI InChI=1/C25H29F3N4O3/c1-23(2,19-6-4-3-5-18(19)22(29)33)15-24(34,25(26,27)28)13-17-11-16-12-21(30-14-20(16)31-17)32-7-9-35-10-8-32/h3-6,11-12,14,31,34H,7-10,13,15H2,1-2H3,(H2,29,33)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041897
PNG
(CHEMBL3358921)
Show SMILES Cc1c(CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)[nH]c2cnccc12
Show InChI InChI=1/C22H24F4N2O/c1-13-5-6-15(23)9-17(13)20(3,4)12-21(29,22(24,25)26)10-18-14(2)16-7-8-27-11-19(16)28-18/h5-9,11,28-29H,10,12H2,1-4H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041974
PNG
(CHEMBL3358938)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(N)(=O)=O
Show InChI InChI=1/C24H29F3N4O4S/c1-22(2,18-5-3-4-6-20(18)36(28,33)34)15-23(32,24(25,26)27)13-17-11-16-12-21(29-14-19(16)30-17)31-7-9-35-10-8-31/h3-6,11-12,14,30,32H,7-10,13,15H2,1-2H3,(H2,28,33,34)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041909
PNG
(CHEMBL3358930)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F
Show InChI InChI=1/C22H23F4N3O2/c1-12-4-5-14(23)8-16(12)20(2,3)11-21(31,22(24,25)26)9-15-6-13-7-17(19(27)30)28-10-18(13)29-15/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041903
PNG
(CHEMBL3358926)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F
Show InChI InChI=1/C21H23F4N3O/c1-12-4-5-14(22)8-16(12)19(2,3)11-20(29,21(23,24)25)9-15-6-13-7-18(26)27-10-17(13)28-15/h4-8,10,28-29H,9,11H2,1-3H3,(H2,26,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041911
PNG
(CHEMBL3358932)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C24H28F3N3O2/c1-22(2,18-6-4-3-5-7-18)16-23(31,24(25,26)27)14-19-12-17-13-21(28-15-20(17)29-19)30-8-10-32-11-9-30/h3-7,12-13,15,29,31H,8-11,14,16H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041954
PNG
(CHEMBL3358933)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1/C24H27F4N3O2/c1-22(2,17-4-3-5-18(25)12-17)15-23(32,24(26,27)28)13-19-10-16-11-21(29-14-20(16)30-19)31-6-8-33-9-7-31/h3-5,10-12,14,30,32H,6-9,13,15H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041897
PNG
(CHEMBL3358921)
Show SMILES Cc1c(CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)[nH]c2cnccc12
Show InChI InChI=1/C22H24F4N2O/c1-13-5-6-15(23)9-17(13)20(3,4)12-21(29,22(24,25)26)10-18-14(2)16-7-8-27-11-19(16)28-18/h5-9,11,28-29H,10,12H2,1-4H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041973
PNG
(CHEMBL3358937)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O
Show InChI InChI=1/C25H30F3N3O4S/c1-23(2,19-6-4-5-7-21(19)36(3,33)34)16-24(32,25(26,27)28)14-18-12-17-13-22(29-15-20(17)30-18)31-8-10-35-11-9-31/h4-7,12-13,15,30,32H,8-11,14,16H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50041973
PNG
(CHEMBL3358937)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O
Show InChI InChI=1/C25H30F3N3O4S/c1-23(2,19-6-4-5-7-21(19)36(3,33)34)16-24(32,25(26,27)28)14-18-12-17-13-22(29-15-20(17)30-18)31-8-10-35-11-9-31/h4-7,12-13,15,30,32H,8-11,14,16H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)-coumarin as substrate after 30 mins by fluorescence assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041907
PNG
(CHEMBL3358928)
Show SMILES CC(C)Oc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
Show InChI InChI=1/C24H28F4N2O2/c1-14(2)32-21-9-16-8-18(30-20(16)12-29-21)11-23(31,24(26,27)28)13-22(4,5)19-10-17(25)7-6-15(19)3/h6-10,12,14,30-31H,11,13H2,1-5H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041904
PNG
(CHEMBL3358927)
Show SMILES CN(C)c1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
Show InChI InChI=1/C23H27F4N3O/c1-14-6-7-16(24)10-18(14)21(2,3)13-22(31,23(25,26)27)11-17-8-15-9-20(30(4)5)28-12-19(15)29-17/h6-10,12,29,31H,11,13H2,1-5H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50041908
PNG
(CHEMBL3358929)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1/C25H29F4N3O2/c1-16-4-5-18(26)12-20(16)23(2,3)15-24(33,25(27,28)29)13-19-10-17-11-22(30-14-21(17)31-19)32-6-8-34-9-7-32/h4-5,10-12,14,31,33H,6-9,13,15H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)-coumarin as substrate after 30 mins by fluorescence assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326956
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-meth...)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O/c1-13-4-5-15(22)9-17(13)19(2,3)12-20(28,21(23,24)25)10-16-8-14-6-7-26-11-18(14)27-16/h4-9,11,27-28H,10,12H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041898
PNG
(CHEMBL3358922)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F
Show InChI InChI=1/C22H24F4N2O/c1-13-5-6-15(23)7-18(13)20(3,4)12-21(29,22(24,25)26)9-16-8-17-14(2)10-27-11-19(17)28-16/h5-8,10-11,28-29H,9,12H2,1-4H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041955
PNG
(CHEMBL3358934)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C24H27F4N3O2/c1-22(2,17-3-5-18(25)6-4-17)15-23(32,24(26,27)28)13-19-11-16-12-21(29-14-20(16)30-19)31-7-9-33-10-8-31/h3-6,11-12,14,30,32H,7-10,13,15H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041911
PNG
(CHEMBL3358932)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C24H28F3N3O2/c1-22(2,18-6-4-3-5-7-18)16-23(31,24(25,26)27)14-19-12-17-13-21(28-15-20(17)29-19)30-8-10-32-11-9-30/h3-7,12-13,15,29,31H,8-11,14,16H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041954
PNG
(CHEMBL3358933)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1/C24H27F4N3O2/c1-22(2,17-4-3-5-18(25)12-17)15-23(32,24(26,27)28)13-19-10-16-11-21(29-14-20(16)30-19)31-6-8-33-9-7-31/h3-5,10-12,14,30,32H,6-9,13,15H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041819
PNG
(CHEMBL3358947)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(Cl)cc1C(N)=O
Show InChI InChI=1/C22H23ClF3N3O4S/c1-20(2,16-5-4-13(23)8-15(16)19(27)30)11-21(31,22(24,25)26)9-14-6-12-7-18(34(3,32)33)28-10-17(12)29-14/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041972
PNG
(CHEMBL3352882)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1C(N)=O
Show InChI InChI=1/C25H29F3N4O3/c1-23(2,19-6-4-3-5-18(19)22(29)33)15-24(34,25(26,27)28)13-17-11-16-12-21(30-14-20(16)31-17)32-7-9-35-10-8-32/h3-6,11-12,14,31,34H,7-10,13,15H2,1-2H3,(H2,29,33)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041974
PNG
(CHEMBL3358938)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(N)(=O)=O
Show InChI InChI=1/C24H29F3N4O4S/c1-22(2,18-5-3-4-6-20(18)36(28,33)34)15-23(32,24(25,26)27)13-17-11-16-12-21(29-14-19(16)30-17)31-7-9-35-10-8-31/h3-6,11-12,14,30,32H,7-10,13,15H2,1-2H3,(H2,28,33,34)
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041899
PNG
(CHEMBL3358923)
Show SMILES Cc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
Show InChI InChI=1/C22H24F4N2O/c1-13-5-6-16(23)9-18(13)20(3,4)12-21(29,22(24,25)26)10-17-8-15-7-14(2)27-11-19(15)28-17/h5-9,11,28-29H,10,12H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041896
PNG
(CHEMBL3358954)
Show SMILES CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
Show InChI InChI=1/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/s2
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041971
PNG
(CHEMBL3358936)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(O)c1
Show InChI InChI=1/C24H28F3N3O3/c1-22(2,17-4-3-5-19(31)12-17)15-23(32,24(25,26)27)13-18-10-16-11-21(28-14-20(16)29-18)30-6-8-33-9-7-30/h3-5,10-12,14,29,31-32H,6-9,13,15H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041902
PNG
(CHEMBL3358925)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C27H26F4N2O/c1-17-9-10-20(28)13-22(17)25(2,3)16-26(34,27(29,30)31)14-21-11-19-12-23(32-15-24(19)33-21)18-7-5-4-6-8-18/h4-13,15,33-34H,14,16H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041816
PNG
(CHEMBL3358944)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(C)(=O)=O
Show InChI InChI=1/C22H25F3N2O5S2/c1-20(2,16-7-5-6-8-18(16)33(3,29)30)13-21(28,22(23,24)25)11-15-9-14-10-19(34(4,31)32)26-12-17(14)27-15/h5-10,12,27-28H,11,13H2,1-4H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041910
PNG
(CHEMBL3358931)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1/C22H24F4N2O4S/c1-20(2,16-9-14(23)5-6-18(16)32-3)12-21(29,22(24,25)26)10-15-7-13-8-19(33(4,30)31)27-11-17(13)28-15/h5-9,11,28-29H,10,12H2,1-4H3
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n/an/a 28n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041816
PNG
(CHEMBL3358944)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(C)(=O)=O
Show InChI InChI=1/C22H25F3N2O5S2/c1-20(2,16-7-5-6-8-18(16)33(3,29)30)13-21(28,22(23,24)25)11-15-9-14-10-19(34(4,31)32)26-12-17(14)27-15/h5-10,12,27-28H,11,13H2,1-4H3
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n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041903
PNG
(CHEMBL3358926)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F
Show InChI InChI=1/C21H23F4N3O/c1-12-4-5-14(22)8-16(12)19(2,3)11-20(29,21(23,24)25)9-15-6-13-7-18(26)27-10-17(13)28-15/h4-8,10,28-29H,9,11H2,1-3H3,(H2,26,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326956
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-meth...)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O/c1-13-4-5-15(22)9-17(13)19(2,3)12-20(28,21(23,24)25)10-16-8-14-6-7-26-11-18(14)27-16/h4-9,11,27-28H,10,12H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041904
PNG
(CHEMBL3358927)
Show SMILES CN(C)c1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
Show InChI InChI=1/C23H27F4N3O/c1-14-6-7-16(24)10-18(14)21(2,3)13-22(31,23(25,26)27)11-17-8-15-9-20(30(4)5)28-12-19(15)29-17/h6-10,12,29,31H,11,13H2,1-5H3
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n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041819
PNG
(CHEMBL3358947)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(Cl)cc1C(N)=O
Show InChI InChI=1/C22H23ClF3N3O4S/c1-20(2,16-5-4-13(23)8-15(16)19(27)30)11-21(31,22(24,25)26)9-14-6-12-7-18(34(3,32)33)28-10-17(12)29-14/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041893
PNG
(CHEMBL3358953)
Show SMILES CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
Show InChI InChI=1/C23H26F3N3O4S/c1-4-34(32,33)19-10-14-9-15(29-18(14)12-28-19)11-22(31,23(24,25)26)13-21(2,3)17-8-6-5-7-16(17)20(27)30/h5-10,12,29,31H,4,11,13H2,1-3H3,(H2,27,30)/t22-/s2
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n/an/a 43n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041820
PNG
(CHEMBL3358948)
Show SMILES Cc1ccc(c(c1)C(N)=O)C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1/C23H26F3N3O4S/c1-13-5-6-17(16(7-13)20(27)30)21(2,3)12-22(31,23(24,25)26)10-15-8-14-9-19(34(4,32)33)28-11-18(14)29-15/h5-9,11,29,31H,10,12H2,1-4H3,(H2,27,30)
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n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041975
PNG
(CHEMBL3358939)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)C(N)=O
Show InChI InChI=1/C25H29F3N4O3/c1-23(2,18-5-3-4-16(10-18)22(29)33)15-24(34,25(26,27)28)13-19-11-17-12-21(30-14-20(17)31-19)32-6-8-35-9-7-32/h3-5,10-12,14,31,34H,6-9,13,15H2,1-2H3,(H2,29,33)
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n/an/a 46n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041890
PNG
(CHEMBL3358950)
Show SMILES CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
Show InChI InChI=1/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)
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n/an/a 46n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041955
PNG
(CHEMBL3358934)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C24H27F4N3O2/c1-22(2,17-3-5-18(25)6-4-17)15-23(32,24(26,27)28)13-19-11-16-12-21(29-14-20(16)30-19)31-7-9-33-10-8-31/h3-6,11-12,14,30,32H,7-10,13,15H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041971
PNG
(CHEMBL3358936)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(O)c1
Show InChI InChI=1/C24H28F3N3O3/c1-22(2,17-4-3-5-19(31)12-17)15-23(32,24(25,26)27)13-18-10-16-11-21(28-14-20(16)29-18)30-6-8-33-9-7-30/h3-5,10-12,14,29,31-32H,6-9,13,15H2,1-2H3
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n/an/a 53n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041896
PNG
(CHEMBL3358954)
Show SMILES CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
Show InChI InChI=1/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/s2
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n/an/a 55n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041975
PNG
(CHEMBL3358939)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)C(N)=O
Show InChI InChI=1/C25H29F3N4O3/c1-23(2,18-5-3-4-16(10-18)22(29)33)15-24(34,25(26,27)28)13-19-11-17-12-21(30-14-20(17)31-19)32-6-8-35-9-7-32/h3-5,10-12,14,31,34H,6-9,13,15H2,1-2H3,(H2,29,33)
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n/an/a 56n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041898
PNG
(CHEMBL3358922)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F
Show InChI InChI=1/C22H24F4N2O/c1-13-5-6-15(23)7-18(13)20(3,4)12-21(29,22(24,25)26)9-16-8-17-14(2)10-27-11-19(17)28-16/h5-8,10-11,28-29H,9,12H2,1-4H3
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n/an/a 59n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041818
PNG
(CHEMBL3358946)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1C(N)=O
Show InChI InChI=1/C22H23F4N3O4S/c1-20(2,16-5-4-13(23)8-15(16)19(27)30)11-21(31,22(24,25)26)9-14-6-12-7-18(34(3,32)33)28-10-17(12)29-14/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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n/an/a 59n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
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