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PubMed code 25706100

Compile data set for download or QSAR
Found 65 hits of Enzyme Inhibition Constant Data   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human PR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081073
PNG
(CHEMBL3421889)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1C=Cc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H26O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-13,18,24-26H,3,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081069
PNG
(CHEMBL3421871)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081072
PNG
(CHEMBL3421890)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1C=C(C)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C24H28O3/c1-4-23-15-22(3,26)24(27,17-8-6-5-7-9-17)14-18(23)12-16(2)20-13-19(25)10-11-21(20)23/h5-13,18,25-27H,4,14-15H2,1-3H3/t18-,22-,23-,24-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081072
PNG
(CHEMBL3421890)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1C=C(C)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C24H28O3/c1-4-23-15-22(3,26)24(27,17-8-6-5-7-9-17)14-18(23)12-16(2)20-13-19(25)10-11-21(20)23/h5-13,18,25-27H,4,14-15H2,1-3H3/t18-,22-,23-,24-/m1/s1
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n/an/a 0.670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081101
PNG
(CHEMBL3421879)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1nccs1
Show InChI InChI=1S/C20H25NO3S/c1-3-19-12-18(2,23)20(24,17-21-8-9-25-17)11-14(19)5-4-13-10-15(22)6-7-16(13)19/h6-10,14,22-24H,3-5,11-12H2,1-2H3/t14-,18-,19-,20-/m1/s1
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n/an/a 0.790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081068
PNG
(CHEMBL3421872)
Show SMILES CC[C@@]1(O)C[C@]2(CC)[C@H](CCc3cc(O)ccc23)C[C@@]1(O)c1ccccc1
Show InChI InChI=1S/C24H30O3/c1-3-22-16-23(26,4-2)24(27,18-8-6-5-7-9-18)15-19(22)11-10-17-14-20(25)12-13-21(17)22/h5-9,12-14,19,25-27H,3-4,10-11,15-16H2,1-2H3/t19-,22-,23-,24-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081063
PNG
(CHEMBL3421875)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccc(C)cc1
Show InChI InChI=1S/C24H30O3/c1-4-23-15-22(3,26)24(27,18-8-5-16(2)6-9-18)14-19(23)10-7-17-13-20(25)11-12-21(17)23/h5-6,8-9,11-13,19,25-27H,4,7,10,14-15H2,1-3H3/t19-,22-,23-,24-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081079
PNG
(CHEMBL3421886)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C20H26O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h8-9,11,15,21-23H,5-7,12-13H2,1-3H3/t15-,18-,19-,20+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081062
PNG
(CHEMBL3421876)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccn1
Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,19-6-4-5-11-23-19)13-16(21)8-7-15-12-17(24)9-10-18(15)21/h4-6,9-12,16,24-26H,3,7-8,13-14H2,1-2H3/t16-,20-,21-,22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081101
PNG
(CHEMBL3421879)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1nccs1
Show InChI InChI=1S/C20H25NO3S/c1-3-19-12-18(2,23)20(24,17-21-8-9-25-17)11-14(19)5-4-13-10-15(22)6-7-16(13)19/h6-10,14,22-24H,3-5,11-12H2,1-2H3/t14-,18-,19-,20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081062
PNG
(CHEMBL3421876)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccn1
Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,19-6-4-5-11-23-19)13-16(21)8-7-15-12-17(24)9-10-18(15)21/h4-6,9-12,16,24-26H,3,7-8,13-14H2,1-2H3/t16-,20-,21-,22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081071
PNG
(CHEMBL3421891)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(=O)c1cc(OC(=O)c3ccccc3)ccc21)c1ccccc1
Show InChI InChI=1S/C30H30O5/c1-3-29-19-28(2,33)30(34,21-12-8-5-9-13-21)18-22(29)16-26(31)24-17-23(14-15-25(24)29)35-27(32)20-10-6-4-7-11-20/h4-15,17,22,33-34H,3,16,18-19H2,1-2H3/t22-,28-,29-,30-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
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 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081079
PNG
(CHEMBL3421886)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C20H26O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h8-9,11,15,21-23H,5-7,12-13H2,1-3H3/t15-,18-,19-,20+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081095
PNG
(CHEMBL3421885)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)\C=C\C
Show InChI InChI=1S/C20H28O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h4,8-11,15,21-23H,5-7,12-13H2,1-3H3/b10-4+/t15-,18-,19-,20+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081075
PNG
(CHEMBL3421887)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(=O)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
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 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081069
PNG
(CHEMBL3421871)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276128
PNG
((2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081073
PNG
(CHEMBL3421889)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1C=Cc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H26O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-13,18,24-26H,3,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081075
PNG
(CHEMBL3421887)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(=O)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081067
PNG
(CHEMBL3421873)
Show SMILES CC[C@@]12C[C@](O)(C=C)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C24H28O3/c1-3-22-16-23(26,4-2)24(27,18-8-6-5-7-9-18)15-19(22)11-10-17-14-20(25)12-13-21(17)22/h4-9,12-14,19,25-27H,2-3,10-11,15-16H2,1H3/t19-,22-,23-,24-/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081068
PNG
(CHEMBL3421872)
Show SMILES CC[C@@]1(O)C[C@]2(CC)[C@H](CCc3cc(O)ccc23)C[C@@]1(O)c1ccccc1
Show InChI InChI=1S/C24H30O3/c1-3-22-16-23(26,4-2)24(27,18-8-6-5-7-9-18)15-19(22)11-10-17-14-20(25)12-13-21(17)22/h5-9,12-14,19,25-27H,3-4,10-11,15-16H2,1-2H3/t19-,22-,23-,24-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081095
PNG
(CHEMBL3421885)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)\C=C\C
Show InChI InChI=1S/C20H28O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h4,8-11,15,21-23H,5-7,12-13H2,1-3H3/b10-4+/t15-,18-,19-,20+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
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n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081102
PNG
(CHEMBL3421878)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccncc1
Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,16-8-10-23-11-9-16)13-17(21)5-4-15-12-18(24)6-7-19(15)21/h6-12,17,24-26H,3-5,13-14H2,1-2H3/t17-,20-,21-,22-/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081096
PNG
(CHEMBL3421884)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C=C
Show InChI InChI=1S/C19H26O3/c1-4-18-12-17(3,21)19(22,5-2)11-14(18)7-6-13-10-15(20)8-9-16(13)18/h5,8-10,14,20-22H,2,4,6-7,11-12H2,1,3H3/t14-,17-,18-,19+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081063
PNG
(CHEMBL3421875)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccc(C)cc1
Show InChI InChI=1S/C24H30O3/c1-4-23-15-22(3,26)24(27,18-8-5-16(2)6-9-18)14-19(23)10-7-17-13-20(25)11-12-21(17)23/h5-6,8-9,11-13,19,25-27H,4,7,10,14-15H2,1-3H3/t19-,22-,23-,24-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081098
PNG
(CHEMBL3421882)
Show SMILES CCC[C@]1(O)C[C@H]2CCc3cc(O)ccc3[C@]2(CC)C[C@@]1(C)O
Show InChI InChI=1S/C20H30O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h8-9,11,15,21-23H,4-7,10,12-13H2,1-3H3/t15-,18-,19-,20+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276474
PNG
((2R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10,10...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O2/c1-2-21-12-13-22(24,17-6-4-3-5-7-17)15-18(21)9-8-16-14-19(23)10-11-20(16)21/h3-7,10-11,14,18,23-24H,2,8-9,12-13,15H2,1H3/t18-,21-,22-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
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 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081061
PNG
(CHEMBL3421877)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1cccnc1
Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,17-5-4-10-23-13-17)12-16(21)7-6-15-11-18(24)8-9-19(15)21/h4-5,8-11,13,16,24-26H,3,6-7,12,14H2,1-2H3/t16-,20-,21-,22-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081071
PNG
(CHEMBL3421891)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(=O)c1cc(OC(=O)c3ccccc3)ccc21)c1ccccc1
Show InChI InChI=1S/C30H30O5/c1-3-29-19-28(2,33)30(34,21-12-8-5-9-13-21)18-22(29)16-26(31)24-17-23(14-15-25(24)29)35-27(32)20-10-6-4-7-11-20/h4-15,17,22,33-34H,3,16,18-19H2,1-2H3/t22-,28-,29-,30-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081097
PNG
(CHEMBL3421883)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@](O)(CC=C)C[C@H]1CCc1cc(O)ccc21
Show InChI InChI=1S/C20H28O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h4,8-9,11,15,21-23H,1,5-7,10,12-13H2,2-3H3/t15-,18-,19-,20+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081066
PNG
(CHEMBL3421874)
Show SMILES CC[C@@]12C[C@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21+,22-,23-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human AR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081072
PNG
(CHEMBL3421890)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1C=C(C)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C24H28O3/c1-4-23-15-22(3,26)24(27,17-8-6-5-7-9-17)14-18(23)12-16(2)20-13-19(25)10-11-21(20)23/h5-13,18,25-27H,4,14-15H2,1-3H3/t18-,22-,23-,24-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081099
PNG
(CHEMBL3421881)
Show SMILES CC[C@]1(O)C[C@H]2CCc3cc(O)ccc3[C@]2(CC)C[C@@]1(C)O
Show InChI InChI=1S/C19H28O3/c1-4-18-12-17(3,21)19(22,5-2)11-14(18)7-6-13-10-15(20)8-9-16(13)18/h8-10,14,20-22H,4-7,11-12H2,1-3H3/t14-,17-,18-,19+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081075
PNG
(CHEMBL3421887)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(=O)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081074
PNG
(CHEMBL3421888)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(O)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,20,24-27H,3,11,13-14H2,1-2H3/t16-,20?,21-,22-,23-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081061
PNG
(CHEMBL3421877)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1cccnc1
Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,17-5-4-10-23-13-17)12-16(21)7-6-15-11-18(24)8-9-19(15)21/h4-5,8-11,13,16,24-26H,3,6-7,12,14H2,1-2H3/t16-,20-,21-,22-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081101
PNG
(CHEMBL3421879)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1nccs1
Show InChI InChI=1S/C20H25NO3S/c1-3-19-12-18(2,23)20(24,17-21-8-9-25-17)11-14(19)5-4-13-10-15(22)6-7-16(13)19/h6-10,14,22-24H,3-5,11-12H2,1-2H3/t14-,18-,19-,20-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081102
PNG
(CHEMBL3421878)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccncc1
Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,16-8-10-23-11-9-16)13-17(21)5-4-15-12-18(24)6-7-19(15)21/h6-12,17,24-26H,3-5,13-14H2,1-2H3/t17-,20-,21-,22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081069
PNG
(CHEMBL3421871)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 109n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081062
PNG
(CHEMBL3421876)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccn1
Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,19-6-4-5-11-23-19)13-16(21)8-7-15-12-17(24)9-10-18(15)21/h4-6,9-12,16,24-26H,3,7-8,13-14H2,1-2H3/t16-,20-,21-,22-/m1/s1
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n/an/a 167n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081100
PNG
(CHEMBL3421880)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](C)(O)C[C@H]1CCc1cc(O)ccc21
Show InChI InChI=1S/C18H26O3/c1-4-18-11-17(3,21)16(2,20)10-13(18)6-5-12-9-14(19)7-8-15(12)18/h7-9,13,19-21H,4-6,10-11H2,1-3H3/t13-,16+,17-,18-/m1/s1
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n/an/a 211n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50081069
PNG
(CHEMBL3421871)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human AR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50081069
PNG
(CHEMBL3421871)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 321n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human PR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081073
PNG
(CHEMBL3421889)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1C=Cc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H26O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-13,18,24-26H,3,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081096
PNG
(CHEMBL3421884)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C=C
Show InChI InChI=1S/C19H26O3/c1-4-18-12-17(3,21)19(22,5-2)11-14(18)7-6-13-10-15(20)8-9-16(13)18/h5,8-10,14,20-22H,2,4,6-7,11-12H2,1,3H3/t14-,17-,18-,19+/m1/s1
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50081069
PNG
(CHEMBL3421871)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a>3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ER-beta


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50081069
PNG
(CHEMBL3421871)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1
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n/an/a>3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ER-alpha


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081074
PNG
(CHEMBL3421888)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(O)c1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,20,24-27H,3,11,13-14H2,1-2H3/t16-,20?,21-,22-,23-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081099
PNG
(CHEMBL3421881)
Show SMILES CC[C@]1(O)C[C@H]2CCc3cc(O)ccc3[C@]2(CC)C[C@@]1(C)O
Show InChI InChI=1S/C19H28O3/c1-4-18-12-17(3,21)19(22,5-2)11-14(18)7-6-13-10-15(20)8-9-16(13)18/h8-10,14,20-22H,4-7,11-12H2,1-3H3/t14-,17-,18-,19+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276128
PNG
((2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081097
PNG
(CHEMBL3421883)
Show SMILES CC[C@@]12C[C@@](C)(O)[C@](O)(CC=C)C[C@H]1CCc1cc(O)ccc21
Show InChI InChI=1S/C20H28O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h4,8-9,11,15,21-23H,1,5-7,10,12-13H2,2-3H3/t15-,18-,19-,20+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081098
PNG
(CHEMBL3421882)
Show SMILES CCC[C@]1(O)C[C@H]2CCc3cc(O)ccc3[C@]2(CC)C[C@@]1(C)O
Show InChI InChI=1S/C20H30O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h8-9,11,15,21-23H,4-7,10,12-13H2,1-3H3/t15-,18-,19-,20+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081067
PNG
(CHEMBL3421873)
Show SMILES CC[C@@]12C[C@](O)(C=C)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C24H28O3/c1-3-22-16-23(26,4-2)24(27,18-8-6-5-7-9-18)15-19(22)11-10-17-14-20(25)12-13-21(17)22/h4-9,12-14,19,25-27H,2-3,10-11,15-16H2,1H3/t19-,22-,23-,24-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276474
PNG
((2R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10,10...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O2/c1-2-21-12-13-22(24,17-6-4-3-5-7-17)15-18(21)9-8-16-14-19(23)10-11-20(16)21/h3-7,10-11,14,18,23-24H,2,8-9,12-13,15H2,1H3/t18-,21-,22-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081066
PNG
(CHEMBL3421874)
Show SMILES CC[C@@]12C[C@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21+,22-,23-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ER-alpha


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ER-beta


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%