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Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'jaroch' and Initial = 's'   
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 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 0.158n/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 0.631n/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))
BDBM50416873
PNG
(CHEMBL1257454)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C)ccc12)C(F)(F)F
Show InChI InChI=1S/C24H26F4N2O2/c1-15-8-10-17-19(6-5-7-20(17)30-15)29-14-23(31,24(26,27)28)13-22(2,3)18-12-16(25)9-11-21(18)32-4/h5-12,29,31H,13-14H2,1-4H3
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n/an/a 0.631n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


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



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416868
PNG
(CHEMBL1257453)
Show SMILES CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O
Show InChI InChI=1S/C22H22F4N2O2/c1-20(2,16-11-14(23)8-9-19(16)29)12-21(30,22(24,25)26)13-28-18-7-3-6-17-15(18)5-4-10-27-17/h3-11,28-30H,12-13H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50172022
PNG
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31)
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n/an/a 1.26n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant mineralocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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 1.58n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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 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))
BDBM50416873
PNG
(CHEMBL1257454)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C)ccc12)C(F)(F)F
Show InChI InChI=1S/C24H26F4N2O2/c1-15-8-10-17-19(6-5-7-20(17)30-15)29-14-23(31,24(26,27)28)13-22(2,3)18-12-16(25)9-11-21(18)32-4/h5-12,29,31H,13-14H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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 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))
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 2.51n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced IL-8...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50172022
PNG
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31)
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n/an/a 3.16n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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 3.16n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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))
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))
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))
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 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 5.01n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced IL-8...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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))
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))
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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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 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))
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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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))
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))
BDBM50416868
PNG
(CHEMBL1257453)
Show SMILES CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O
Show InChI InChI=1S/C22H22F4N2O2/c1-20(2,16-11-14(23)8-9-19(16)29)12-21(30,22(24,25)26)13-28-18-7-3-6-17-15(18)5-4-10-27-17/h3-11,28-30H,12-13H2,1-2H3
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n/an/a 6.31n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201099
PNG
(4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
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n/an/a 6.31n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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 6.31n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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)
Progesterone receptor


(Homo sapiens (Human))
BDBM50172022
PNG
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31)
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n/an/a 7.94n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant progesterone receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50201104
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)
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n/an/a 7.94n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant mineralocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416870
PNG
(CHEMBL1257221)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H24F4N2O4/c1-13-17-10-15(6-7-16(17)20(30)33-29-13)28-12-22(31,23(25,26)27)11-21(2,3)18-9-14(24)5-8-19(18)32-4/h5-10,28,31H,11-12H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50172022
PNG
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31)
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n/an/a 10n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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 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)
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205760
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES CCc1cccc(CC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H37BrClN3O3/c1-3-23-6-5-7-24(4-2)29(23)35-30(37)34-21-31(38)14-16-36(17-15-31)19-25-18-26(32)10-13-28(25)39-20-22-8-11-27(33)12-9-22/h5-13,18,38H,3-4,14-17,19-21H2,1-2H3,(H2,34,35,37)
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n/an/a 11n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4


Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50201104
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)
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n/an/a 12.6n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant progesterone receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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 12.6n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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))
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))
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))
BDBM50416872
PNG
(CHEMBL1257342)
Show SMILES CC(C)(CC(O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O
Show InChI InChI=1S/C23H23F4NO2/c1-21(2,18-12-16(24)10-11-20(18)29)13-22(30,23(25,26)27)14-28-19-9-5-7-15-6-3-4-8-17(15)19/h3-12,28-30H,13-14H2,1-2H3
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n/an/a 15.8n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50416870
PNG
(CHEMBL1257221)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H24F4N2O4/c1-13-17-10-15(6-7-16(17)20(30)33-29-13)28-12-22(31,23(25,26)27)11-21(2,3)18-9-14(24)5-8-19(18)32-4/h5-10,28,31H,11-12H2,1-4H3
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n/an/a 15.8n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant progesterone receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
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))
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
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