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Compile Data Set for Download or QSAR

Found 3397 hits of ic50 for UniProtKB: P04150   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/s2
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n/an/a 0.00800n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of CHO-K1 cells expressing glucocorticoid receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250114
PNG
(CHEMBL4104286)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.0200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250125
PNG
(CHEMBL4061359)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/s2
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n/an/a 0.0290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206900
PNG
(CHEMBL3895181)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@H](C[C@]12C)OCC=C)C(=O)Nc1cccnc1C
Show InChI InChI=1/C31H36N2O3/c1-5-14-31(35)15-13-25-24-12-9-21-18-22(29(34)33-26-8-7-16-32-20(26)3)10-11-23(21)28(24)27(36-17-6-2)19-30(25,31)4/h6-8,10-11,16,18,24-25,27-28,35H,2,9,12-13,15,17,19H2,1,3-4H3,(H,33,34)/t24-,25-,27-,28+,30-,31-/s2
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n/an/a 0.0300n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...


Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203432
PNG
(CHEMBL3911831)
Show SMILES CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O2S/c1-15(31-24(33)25(27,28)29)23(16-3-10-21(35-2)11-4-16)34-20-9-12-22-17(13-20)14-30-32(22)19-7-5-18(26)6-8-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.0300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250115
PNG
(CHEMBL4086388)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1
Show InChI InChI=1/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.0320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141378
PNG
(US8916600, 12 | US9738632, Example 12)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/s2
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n/an/a 0.0370n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354851
PNG
(FLUTICASONE FUROATE | Veramyst)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
Show InChI InChI=1/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/s2
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n/an/a 0.0398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/s2
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n/an/a 0.0400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203418
PNG
(CHEMBL3902818)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2ccccc2c1
Show InChI InChI=1/C28H21F4N3O2/c1-17(34-27(36)28(30,31)32)26(20-7-6-18-4-2-3-5-19(18)14-20)37-24-12-13-25-21(15-24)16-33-35(25)23-10-8-22(29)9-11-23/h2-17,26H,1H3,(H,34,36)/t17-,26-/s2
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n/an/a 0.0400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203441
PNG
(CHEMBL3973775)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cnc2ccccc2c1
Show InChI InChI=1/C27H20F4N4O2/c1-16(34-26(36)27(29,30)31)25(19-12-17-4-2-3-5-23(17)32-14-19)37-22-10-11-24-18(13-22)15-33-35(24)21-8-6-20(28)7-9-21/h2-16,25H,1H3,(H,34,36)/t16-,25-/s2
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n/an/a 0.0400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/s2
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n/an/a 0.0440n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.0490n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203413
PNG
(CHEMBL3920760)
Show SMILES CCc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C
Show InChI InChI=1/C29H32FN3O2/c1-6-20-7-9-21(10-8-20)27(19(2)32-28(34)29(3,4)5)35-25-15-16-26-22(17-25)18-31-33(26)24-13-11-23(30)12-14-24/h7-19,27H,6H2,1-5H3,(H,32,34)/t19-,27-/s2
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n/an/a 0.0500n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141371
PNG
(US8916600, 5 | US9738632, Example 5)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2OCCOc2c1
Show InChI InChI=1/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/s2
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n/an/a 0.0510n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141372
PNG
(US8916600, 6 | US9738632, Example 6)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1
Show InChI InChI=1/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/s2
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n/an/a 0.0560n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141379
PNG
(US8916600, 13 | US9738632, Example 13)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1
Show InChI InChI=1/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250126
PNG
(CHEMBL4094154)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2COCOc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-4-18-14-35-15-36-24(18)12-17)37-22-9-10-23-19(11-22)13-31-33(23)21-7-5-20(28)6-8-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.0660n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206950
PNG
(CHEMBL3933702)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@H](C[C@]12C)OCc1ccc(Cl)cc1)C(=O)Nc1cccnc1C
Show InChI InChI=1/C35H37ClN2O3/c1-4-16-35(40)17-15-29-28-14-9-24-19-25(33(39)38-30-6-5-18-37-22(30)2)10-13-27(24)32(28)31(20-34(29,35)3)41-21-23-7-11-26(36)12-8-23/h5-8,10-13,18-19,28-29,31-32,40H,9,14-15,17,20-21H2,1-3H3,(H,38,39)/t28-,29-,31-,32+,34-,35-/s2
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n/an/a 0.0700n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...


Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250125
PNG
(CHEMBL4061359)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/s2
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n/an/a 0.0730n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/s2
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n/an/a 0.0750n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis


Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414604
PNG
(CHEMBL551816)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3
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n/an/a 0.0794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417875
PNG
(CHEMBL1668063)
Show SMILES CCN(C[C@](O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3/t25-/s2
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n/an/a 0.0794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250114
PNG
(CHEMBL4104286)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.0800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203430
PNG
(CHEMBL3901719)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C
Show InChI InChI=1/C28H30FN3O3/c1-18(31-27(33)28(2,3)4)26(19-7-6-8-23(15-19)34-5)35-24-13-14-25-20(16-24)17-30-32(25)22-11-9-21(29)10-12-22/h6-18,26H,1-5H3,(H,31,33)/t18-,26-/s2
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n/an/a 0.0800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203435
PNG
(CHEMBL3940724)
Show SMILES C[C@H](NC(=O)c1noc(C)n1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1/C26H22FN5O3/c1-16(29-26(33)25-30-17(2)35-31-25)24(18-6-4-3-5-7-18)34-22-12-13-23-19(14-22)15-28-32(23)21-10-8-20(27)9-11-21/h3-16,24H,1-2H3,(H,29,33)/t16-,24-/s2
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n/an/a 0.0900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203423
PNG
(CHEMBL3960682)
Show SMILES C[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1/C26H22FN5O3/c1-16(29-25(33)26-31-30-17(2)34-26)24(18-6-4-3-5-7-18)35-22-12-13-23-19(14-22)15-28-32(23)21-10-8-20(27)9-11-21/h3-16,24H,1-2H3,(H,29,33)/t16-,24-/s2
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n/an/a 0.0900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214935
PNG
(5-fluoro-2-((Z)-(9-hydroxy-10-methoxy-2,2,4-trimet...)
Show SMILES COc1c(O)ccc2OC(=Cc3ccc(F)cc3CN=O)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12
Show InChI InChI=1/C28H27FN2O4/c1-15-13-28(2,3)31-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-30-33)35-22-10-9-21(32)27(34-4)26(19)22/h5-13,20,24,31-32H,14H2,1-4H3/b23-12-
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n/an/a 0.100n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR assessed as inhibition of dexamethasone-induced GRE activation


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50195157
PNG
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3-me...)
Show SMILES COc1ccc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-25-23-9-6-20-16-21(30)8-10-22(20)27(23)24(17-28(25,29)3)19-7-11-26(32-4)18(2)15-19/h7,11,15-16,23-25,31H,6,8-10,12,14,17H2,1-4H3/t23-,24+,25-,28-,29-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human GR


Bioorg Med Chem Lett 16: 6086-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250115
PNG
(CHEMBL4086388)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1
Show InChI InChI=1/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.101n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250118
PNG
(CHEMBL4070346)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2OCCOc2c1
Show InChI InChI=1/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-11-27-28(17-20)45-14-13-44-27)46-24-9-10-25-22(16-24)18-37-40(25)23-6-3-5-21(15-23)31(42)39-12-4-7-26(39)30(36)41/h3,5-6,8-11,15-19,26,29H,4,7,12-14H2,1-2H3,(H2,36,41)(H,38,43)/t19-,26+,29-/s2
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n/an/a 0.120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414604
PNG
(CHEMBL551816)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3
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n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414609
PNG
(CHEMBL550730)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F
Show InChI InChI=1/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3
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n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417887
PNG
(CHEMBL1668077)
Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12
Show InChI InChI=1/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/s2
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n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203419
PNG
(CHEMBL3915997)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/s2
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n/an/a 0.130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203419
PNG
(CHEMBL3915997)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/s2
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n/an/a 0.130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250126
PNG
(CHEMBL4094154)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2COCOc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-4-18-14-35-15-36-24(18)12-17)37-22-9-10-23-19(11-22)13-31-33(23)21-7-5-20(28)6-8-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.132n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250119
PNG
(CHEMBL4098641)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2COCOc2c1
Show InChI InChI=1/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-9-22-17-44-18-45-28(22)15-20)46-25-10-11-26-23(14-25)16-37-40(26)24-6-3-5-21(13-24)31(42)39-12-4-7-27(39)30(36)41/h3,5-6,8-11,13-16,19,27,29H,4,7,12,17-18H2,1-2H3,(H2,36,41)(H,38,43)/t19-,27+,29-/s2
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n/an/a 0.150n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250116
PNG
(CHEMBL4066614)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCOCc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-24-19(11-17)14-35-15-36-24)37-22-8-9-23-18(12-22)13-31-33(23)21-6-4-20(28)5-7-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.156n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203424
PNG
(CHEMBL3893393)
Show SMILES CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F
Show InChI InChI=1/C23H23ClF4N2O2S/c1-4-33-12-22(31,23(26,27)28)21(15-10-11-18(32-3)20(25)19(15)24)30-17-7-5-6-16-14(17)9-8-13(2)29-16/h5-11,21,30-31H,4,12H2,1-3H3/t21-,22+/s2
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n/an/a 0.158n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptorin human HeLa cells assessed as inhibition of TPA-induced collagenase promoter activity by lucifer...


Bioorg Med Chem Lett 27: 437-442 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203424
PNG
(CHEMBL3893393)
Show SMILES CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F
Show InChI InChI=1/C23H23ClF4N2O2S/c1-4-33-12-22(31,23(26,27)28)21(15-10-11-18(32-3)20(25)19(15)24)30-17-7-5-6-16-14(17)9-8-13(2)29-16/h5-11,21,30-31H,4,12H2,1-3H3/t21-,22+/s2
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n/an/a 0.158n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...


Bioorg Med Chem Lett 27: 437-442 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141368
PNG
(US8916600, 2 | US8916600, 3 | US9738632, Example 2)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/s2
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n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141378
PNG
(US8916600, 12 | US9738632, Example 12)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/s2
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n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141375
PNG
(US8916600, 9 | US9738632, Example 9)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2COCOc2c1
Show InChI InChI=1/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-42-18-43-28(22)14-20)44-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-41-17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24-,29-/s2
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n/an/a 0.190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18617
PNG
((18Z)-12-methoxy-18-{[3-(methoxymethyl)thiophen-2-...)
Show SMILES COCc1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C27H27NO4S/c1-15-13-27(2,3)28-18-7-6-17-24(23(15)18)21(12-22-16(14-30-4)10-11-33-22)32-20-9-8-19(29)26(31-5)25(17)20/h6-13,28-29H,14H2,1-5H3/b21-12-
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0.200 -12.3 0.200n/a 0.200n/an/a7.54



Ligand Pharmaceuticals Inc



Assay Description
Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...


J Med Chem 50: 4699-709 (2007)


Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18616
PNG
((18Z)-18-{[3-(hydroxymethyl)thiophen-2-yl]methylid...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3CO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C26H25NO4S/c1-14-12-26(2,3)27-17-6-5-16-23(22(14)17)20(11-21-15(13-28)9-10-32-21)31-19-8-7-18(29)25(30-4)24(16)19/h5-12,27-29H,13H2,1-4H3/b20-11-
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0.700 -11.6 0.200n/a 0.200n/an/a7.54



Ligand Pharmaceuticals Inc



Assay Description
Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...


J Med Chem 50: 4699-709 (2007)


Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18623
PNG
((18Z)-12-methoxy-18-({3-[(1E)-1-(methoxyimino)ethy...)
Show SMILES CO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C28H28N2O4S/c1-15-14-28(3,4)29-19-8-7-18-25(24(15)19)22(13-23-17(11-12-35-23)16(2)30-33-6)34-21-10-9-20(31)27(32-5)26(18)21/h7-14,29,31H,1-6H3/b22-13-,30-16+
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1.10 -11.4 0.200n/a 0.100n/an/a7.54



Ligand Pharmaceuticals Inc



Assay Description
Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...


J Med Chem 50: 4699-709 (2007)


Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417890
PNG
(CHEMBL1668080)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22+/s2
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18629
PNG
((18Z)-12-methoxy-3,5,5-trimethyl-18-({3-[(1S)-2,2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3[C@H](O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1/C27H24F3NO4S/c1-13-12-26(2,3)31-16-6-5-15-22(21(13)16)19(35-18-8-7-17(32)24(34-4)23(15)18)11-20-14(9-10-36-20)25(33)27(28,29)30/h5-12,25,31-33H,1-4H3/b19-11-/t25-/s2
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n/an/a 0.200n/a 0.200n/an/a7.5n/a



Ligand Pharmaceuticals Inc



Assay Description
GR-Mediated Antagonist Activity Assay- GR-mediated antagonist activity is measured in the presence of a concentration of dexamethasone empirically de...


J Med Chem 50: 4699-709 (2007)


Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT
More data for this
Ligand-Target Pair
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