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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50000741   
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))
BDBM50203424
PNG
(CHEMBL3893393)
Show SMILES CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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+/m0/s1
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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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
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 |r|
Show InChI InChI=1S/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+/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
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 1.60n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
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 2.5n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259977
PNG
(CHEMBL4082878)
Show SMILES CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,15-6-4-7-16(23)18(15)29)11-21(31,22(24,25)26)12-28-17-8-3-5-14-13(17)9-10-27-19(14)30/h3-10,28-29,31H,11-12H2,1-2H3,(H,27,30)
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n/an/a 2.5n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259977
PNG
(CHEMBL4082878)
Show SMILES CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,15-6-4-7-16(23)18(15)29)11-21(31,22(24,25)26)12-28-17-8-3-5-14-13(17)9-10-27-19(14)30/h3-10,28-29,31H,11-12H2,1-2H3,(H,27,30)
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n/an/a 4n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259977
PNG
(CHEMBL4082878)
Show SMILES CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,15-6-4-7-16(23)18(15)29)11-21(31,22(24,25)26)12-28-17-8-3-5-14-13(17)9-10-27-19(14)30/h3-10,28-29,31H,11-12H2,1-2H3,(H,27,30)
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n/an/a 4n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259978
PNG
(CHEMBL4069357)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-3-13-11-22(31,23(25,26)27)21(15-9-10-16(24)20(30)19(13)15)29-18-6-4-5-17-14(18)8-7-12(2)28-17/h4-10,13,21,29-31H,3,11H2,1-2H3/t13-,21+,22-/m1/s1
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n/an/a 5n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
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n/an/a 5n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259978
PNG
(CHEMBL4069357)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-3-13-11-22(31,23(25,26)27)21(15-9-10-16(24)20(30)19(13)15)29-18-6-4-5-17-14(18)8-7-12(2)28-17/h4-10,13,21,29-31H,3,11H2,1-2H3/t13-,21+,22-/m1/s1
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n/an/a 5n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
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n/an/a 5n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
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n/an/a 5.01n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259981
PNG
(CHEMBL4085241)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)18(13-6-7-14(23)17(29)16(13)20)28-15-5-3-4-12-11(15)8-9-27-19(12)30/h3-9,18,28-29,31H,10H2,1-2H3,(H,27,30)/t18-,21+/m0/s1
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n/an/a 6.30n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
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n/an/a 6.30n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203426
PNG
(CHEMBL3962413)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F5N2O3/c1-2-10-9-21(32,22(25,26)27)20(12-8-13(23)18(24)19(31)17(10)12)29-15-5-3-4-14-11(15)6-7-16(30)28-14/h3-8,10,20,29,31-32H,2,9H2,1H3,(H,28,30)/t10-,20+,21-/m1/s1
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n/an/a 6.30n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259981
PNG
(CHEMBL4085241)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)18(13-6-7-14(23)17(29)16(13)20)28-15-5-3-4-12-11(15)8-9-27-19(12)30/h3-9,18,28-29,31H,10H2,1-2H3,(H,27,30)/t18-,21+/m0/s1
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n/an/a 6.30n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259979
PNG
(CHEMBL4090392)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-3-11-8-21(32,22(25,26)27)20(13-4-5-15(24)19(31)18(11)13)30-17-7-12(23)6-16-14(17)9-28-10(2)29-16/h4-7,9,11,20,30-32H,3,8H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 6.30n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203426
PNG
(CHEMBL3962413)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F5N2O3/c1-2-10-9-21(32,22(25,26)27)20(12-8-13(23)18(24)19(31)17(10)12)29-15-5-3-4-14-11(15)6-7-16(30)28-14/h3-8,10,20,29,31-32H,2,9H2,1H3,(H,28,30)/t10-,20+,21-/m1/s1
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n/an/a 6.30n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259979
PNG
(CHEMBL4090392)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-3-11-8-21(32,22(25,26)27)20(13-4-5-15(24)19(31)18(11)13)30-17-7-12(23)6-16-14(17)9-28-10(2)29-16/h4-7,9,11,20,30-32H,3,8H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 6.30n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
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 7.90n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203426
PNG
(CHEMBL3962413)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F5N2O3/c1-2-10-9-21(32,22(25,26)27)20(12-8-13(23)18(24)19(31)17(10)12)29-15-5-3-4-14-11(15)6-7-16(30)28-14/h3-8,10,20,29,31-32H,2,9H2,1H3,(H,28,30)/t10-,20+,21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259978
PNG
(CHEMBL4069357)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-3-13-11-22(31,23(25,26)27)21(15-9-10-16(24)20(30)19(13)15)29-18-6-4-5-17-14(18)8-7-12(2)28-17/h4-10,13,21,29-31H,3,11H2,1-2H3/t13-,21+,22-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
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 13n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259978
PNG
(CHEMBL4069357)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-3-13-11-22(31,23(25,26)27)21(15-9-10-16(24)20(30)19(13)15)29-18-6-4-5-17-14(18)8-7-12(2)28-17/h4-10,13,21,29-31H,3,11H2,1-2H3/t13-,21+,22-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259981
PNG
(CHEMBL4085241)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)18(13-6-7-14(23)17(29)16(13)20)28-15-5-3-4-12-11(15)8-9-27-19(12)30/h3-9,18,28-29,31H,10H2,1-2H3,(H,27,30)/t18-,21+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259980
PNG
(CHEMBL4092066)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)19(12-6-8-13(23)18(30)17(12)20)28-15-5-3-4-14-11(15)7-9-16(29)27-14/h3-9,19,28,30-31H,10H2,1-2H3,(H,27,29)/t19-,21+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259980
PNG
(CHEMBL4092066)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)19(12-6-8-13(23)18(30)17(12)20)28-15-5-3-4-14-11(15)7-9-16(29)27-14/h3-9,19,28,30-31H,10H2,1-2H3,(H,27,29)/t19-,21+/m0/s1
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n/an/a 16n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259986
PNG
(CHEMBL4098118)
Show SMILES C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O2/c1-11-10-21(30,22(24,25)26)20(14-8-9-15(23)19(29)18(11)14)28-17-5-3-4-16-13(17)7-6-12(2)27-16/h3-9,11,20,28-30H,10H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259980
PNG
(CHEMBL4092066)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)19(12-6-8-13(23)18(30)17(12)20)28-15-5-3-4-14-11(15)7-9-16(29)27-14/h3-9,19,28,30-31H,10H2,1-2H3,(H,27,29)/t19-,21+/m0/s1
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n/an/a 16n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259986
PNG
(CHEMBL4098118)
Show SMILES C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O2/c1-11-10-21(30,22(24,25)26)20(14-8-9-15(23)19(29)18(11)14)28-17-5-3-4-16-13(17)7-6-12(2)27-16/h3-9,11,20,28-30H,10H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259986
PNG
(CHEMBL4098118)
Show SMILES C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O2/c1-11-10-21(30,22(24,25)26)20(14-8-9-15(23)19(29)18(11)14)28-17-5-3-4-16-13(17)7-6-12(2)27-16/h3-9,11,20,28-30H,10H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 20n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259981
PNG
(CHEMBL4085241)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)18(13-6-7-14(23)17(29)16(13)20)28-15-5-3-4-12-11(15)8-9-27-19(12)30/h3-9,18,28-29,31H,10H2,1-2H3,(H,27,30)/t18-,21+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259984
PNG
(CHEMBL4072079)
Show SMILES CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F |r|
Show InChI InChI=1S/C22H20BrF3N2O3/c1-12(2)11-21(31,22(24,25)26)19(16-10-13(23)6-7-18(16)29)28-17-5-3-4-15-14(17)8-9-27-20(15)30/h3-10,19,28-29,31H,1,11H2,2H3,(H,27,30)/t19-,21+/m0/s1
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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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259984
PNG
(CHEMBL4072079)
Show SMILES CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F |r|
Show InChI InChI=1S/C22H20BrF3N2O3/c1-12(2)11-21(31,22(24,25)26)19(16-10-13(23)6-7-18(16)29)28-17-5-3-4-15-14(17)8-9-27-20(15)30/h3-10,19,28-29,31H,1,11H2,2H3,(H,27,30)/t19-,21+/m0/s1
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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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259980
PNG
(CHEMBL4092066)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)19(12-6-8-13(23)18(30)17(12)20)28-15-5-3-4-14-11(15)7-9-16(29)27-14/h3-9,19,28,30-31H,10H2,1-2H3,(H,27,29)/t19-,21+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259977
PNG
(CHEMBL4082878)
Show SMILES CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,15-6-4-7-16(23)18(15)29)11-21(31,22(24,25)26)12-28-17-8-3-5-14-13(17)9-10-27-19(14)30/h3-10,28-29,31H,11-12H2,1-2H3,(H,27,30)
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n/an/a 25n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259979
PNG
(CHEMBL4090392)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-3-11-8-21(32,22(25,26)27)20(13-4-5-15(24)19(31)18(11)13)30-17-7-12(23)6-16-14(17)9-28-10(2)29-16/h4-7,9,11,20,30-32H,3,8H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
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 |r|
Show InChI InChI=1S/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+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259986
PNG
(CHEMBL4098118)
Show SMILES C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O2/c1-11-10-21(30,22(24,25)26)20(14-8-9-15(23)19(29)18(11)14)28-17-5-3-4-16-13(17)7-6-12(2)27-16/h3-9,11,20,28-30H,10H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259985
PNG
(CHEMBL4064352)
Show SMILES Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1 |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-10-28-8-13-15(29-10)6-11(23)7-16(13)30-19-12-4-5-14(24)18(31)17(12)20(2,3)9-21(19,32)22(25,26)27/h4-8,19,30-32H,9H2,1-3H3/t19-,21+/m0/s1
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n/an/a 40n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259985
PNG
(CHEMBL4064352)
Show SMILES Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1 |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-10-28-8-13-15(29-10)6-11(23)7-16(13)30-19-12-4-5-14(24)18(31)17(12)20(2,3)9-21(19,32)22(25,26)27/h4-8,19,30-32H,9H2,1-3H3/t19-,21+/m0/s1
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n/an/a 40n/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)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203426
PNG
(CHEMBL3962413)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F5N2O3/c1-2-10-9-21(32,22(25,26)27)20(12-8-13(23)18(24)19(31)17(10)12)29-15-5-3-4-14-11(15)6-7-16(30)28-14/h3-8,10,20,29,31-32H,2,9H2,1H3,(H,28,30)/t10-,20+,21-/m1/s1
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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259984
PNG
(CHEMBL4072079)
Show SMILES CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F |r|
Show InChI InChI=1S/C22H20BrF3N2O3/c1-12(2)11-21(31,22(24,25)26)19(16-10-13(23)6-7-18(16)29)28-17-5-3-4-15-14(17)8-9-27-20(15)30/h3-10,19,28-29,31H,1,11H2,2H3,(H,27,30)/t19-,21+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259985
PNG
(CHEMBL4064352)
Show SMILES Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1 |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-10-28-8-13-15(29-10)6-11(23)7-16(13)30-19-12-4-5-14(24)18(31)17(12)20(2,3)9-21(19,32)22(25,26)27/h4-8,19,30-32H,9H2,1-3H3/t19-,21+/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259979
PNG
(CHEMBL4090392)
Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-3-11-8-21(32,22(25,26)27)20(13-4-5-15(24)19(31)18(11)13)30-17-7-12(23)6-16-14(17)9-28-10(2)29-16/h4-7,9,11,20,30-32H,3,8H2,1-2H3/t11-,20+,21-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259985
PNG
(CHEMBL4064352)
Show SMILES Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1 |r|
Show InChI InChI=1S/C22H20F5N3O2/c1-10-28-8-13-15(29-10)6-11(23)7-16(13)30-19-12-4-5-14(24)18(31)17(12)20(2,3)9-21(19,32)22(25,26)27/h4-8,19,30-32H,9H2,1-3H3/t19-,21+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50259984
PNG
(CHEMBL4072079)
Show SMILES CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F |r|
Show InChI InChI=1S/C22H20BrF3N2O3/c1-12(2)11-21(31,22(24,25)26)19(16-10-13(23)6-7-18(16)29)28-17-5-3-4-15-14(17)8-9-27-20(15)30/h3-10,19,28-29,31H,1,11H2,2H3,(H,27,30)/t19-,21+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50259977
PNG
(CHEMBL4082878)
Show SMILES CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,15-6-4-7-16(23)18(15)29)11-21(31,22(24,25)26)12-28-17-8-3-5-14-13(17)9-10-27-19(14)30/h3-10,28-29,31H,11-12H2,1-2H3,(H,27,30)
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n/an/a 200n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human progesterone receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50259981
PNG
(CHEMBL4085241)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)18(13-6-7-14(23)17(29)16(13)20)28-15-5-3-4-12-11(15)8-9-27-19(12)30/h3-9,18,28-29,31H,10H2,1-2H3,(H,27,30)/t18-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
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n/an/a 316n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human androgen receptor expressed in baculovirus infected sf9 cells


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


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
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