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Compile Data Set for Download or QSAR

Found 15443 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/an/a 2n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to GR (unknown origin)


Bioorg Med Chem 27: 2508-2520 (2019)


Article DOI: 10.1016/j.bmc.2019.03.022
BindingDB Entry DOI: 10.7270/Q21N84GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50381733
PNG
(CHEMBL2022651)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccccc3)[C@@H]1CC[C@]2(O)C(=O)CO |r,t:9|
Show InChI InChI=1S/C28H34N2O4/c1-26-13-17-15-29-30(19-6-4-3-5-7-19)22(17)12-18(26)8-9-20-21-10-11-28(34,24(33)16-31)27(21,2)14-23(32)25(20)26/h3-7,12,15,20-21,23,25,31-32,34H,8-11,13-14,16H2,1-2H3/t20-,21-,23-,25+,26-,27-,28-/m0/s1
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n/an/an/a 2.20n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550121
PNG
(CHEMBL4787613)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3nn(cc3C[C@]12C)-c1ccccc1 |r,t:23|
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TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50381724
PNG
(CHEMBL2022858)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccc(F)cc3)[C@@H]1CC[C@]2(O)C(=O)CO |r,t:9|
Show InChI InChI=1S/C28H33FN2O4/c1-26-12-16-14-30-31(19-6-4-18(29)5-7-19)22(16)11-17(26)3-8-20-21-9-10-28(35,24(34)15-32)27(21,2)13-23(33)25(20)26/h4-7,11,14,20-21,23,25,32-33,35H,3,8-10,12-13,15H2,1-2H3/t20-,21-,23-,25+,26-,27-,28-/m0/s1
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n/an/an/a 2.60n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
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/an/a 2.80n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(MOUSE)
BDBM50016932
PNG
(CHEMBL3273976)
Show SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(=O)N(CCCl)CCCl |r,c:13,t:9|
Show InChI InChI=1S/C29H38Cl2FNO7/c1-25(2)39-23-14-20-19-6-5-17-13-18(34)7-8-26(17,3)28(19,32)21(35)15-27(20,4)29(23,40-25)22(36)16-38-24(37)33(11-9-30)12-10-31/h7-8,13,19-21,23,35H,5-6,9-12,14-16H2,1-4H3/t19-,20-,21-,23+,26-,27-,28-,29+/m0/s1
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n/an/an/a 7n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550125
PNG
(CHEMBL4759037)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3c(C[C@]12C)cnn3CCCCCC |r,t:23|
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TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to GR (unknown origin)


Bioorg Med Chem 27: 2508-2520 (2019)


Article DOI: 10.1016/j.bmc.2019.03.022
BindingDB Entry DOI: 10.7270/Q21N84GF
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/an/a 19n/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor (unknown origin)


J Med Chem 62: 10005-10025 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01732
BindingDB Entry DOI: 10.7270/Q2ZG6WHW
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/an/a 19n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


J Med Chem 53: 3349-60 (2010)


Article DOI: 10.1021/jm100052k
BindingDB Entry DOI: 10.7270/Q2BP03RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550126
PNG
(3en3hg4wsw | CHEBI:8382 | Cortan | Cortancyl | Dec...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
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n/an/an/a 29n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550124
PNG
(CHEMBL4764990)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3c(C[C@]12C)cnn3-c1cccc(OC)c1 |r,t:23|
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n/an/an/a 32n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)
BDBM13775
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/an/a 43n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550122
PNG
(CHEMBL4754182)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3nn(cc3C[C@]12C)-c1ccc(F)cc1 |r,t:23|
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n/an/an/a 138n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)
BDBM50016931
PNG
(CHEBI:31677 | HYDROCORTISONE HEMISUCCINATE | Hydro...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:30|
Show InChI InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
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n/an/an/a 190n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)
BDBM50016933
PNG
(CHEMBL3273977)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)COC(=O)N(CCCl)CCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:32|
Show InChI InChI=1S/C26H37Cl2NO6/c1-24-7-5-17(30)13-16(24)3-4-18-19-6-8-26(34,25(19,2)14-20(31)22(18)24)21(32)15-35-23(33)29(11-9-27)12-10-28/h13,18-20,22,31,34H,3-12,14-15H2,1-2H3/t18-,19-,20-,22+,24-,25-,26-/m0/s1
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n/an/an/a 430n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550123
PNG
(CHEMBL4755113)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3nn(cc3C[C@]12C)-c1ccc(C)cc1 |r,t:23|
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n/an/an/a 883n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265728
PNG
(CHEMBL4081121)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(C)ccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C30H27FN4O3S/c1-20-4-3-5-26(14-20)39(37,38)34-13-11-23-16-28-22(18-33-35(28)25-8-6-24(31)7-9-25)17-30(23,19-34)29(36)27-15-21(2)10-12-32-27/h3-10,12,14-16,18H,11,13,17,19H2,1-2H3/t30-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265798
PNG
(CHEMBL3736358)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-7-9-23(10-8-22)37-26-15-20-11-13-36(41(39,40)24-5-3-4-21(14-24)29(31,32)33)18-28(20,16-19(26)17-35-37)27(38)25-6-1-2-12-34-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265798
PNG
(CHEMBL3736358)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-7-9-23(10-8-22)37-26-15-20-11-13-36(41(39,40)24-5-3-4-21(14-24)29(31,32)33)18-28(20,16-19(26)17-35-37)27(38)25-6-1-2-12-34-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151078
PNG
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-5-[3-...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@](O)(CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:46,53|
Show InChI InChI=1S/C54H75NO7/c1-7-54(62)23-21-42-39-16-12-34-27-37(56)15-17-38(34)48(39)40(31-51(42,54)4)33-10-13-36(14-11-33)55(6)26-8-22-53(61)25-24-50(3)35(30-53)28-45(57)49-43-19-18-41(32(2)9-20-47(59)60)52(43,5)46(58)29-44(49)50/h1,10-11,13-14,27,32,35,39-46,49,57-58,61-62H,8-9,12,15-26,28-31H2,2-6H3,(H,59,60)/t32-,35-,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53-,54+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265797
PNG
(CHEMBL4088286)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cc(F)cc(F)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21F3N4O3S/c29-20-4-6-23(7-5-20)35-26-11-19-8-10-34(39(37,38)24-13-21(30)12-22(31)14-24)17-28(19,15-18(26)16-33-35)27(36)25-3-1-2-9-32-25/h1-7,9,11-14,16H,8,10,15,17H2/t28-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499246
PNG
(CHEMBL3735376)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H22F2N4O3S/c29-21-4-8-23(9-5-21)34-26-15-20-12-14-33(38(36,37)24-10-6-22(30)7-11-24)18-28(20,16-19(26)17-32-34)27(35)25-3-1-2-13-31-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265804
PNG
(CHEMBL3735124)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-4-6-25(15-20)38(36,37)33-14-12-22-16-27-21(18-32-34(27)24-10-8-23(30)9-11-24)17-29(22,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265729
PNG
(CHEMBL4105376)
Show SMILES Cc1ccc(nc1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(C)c1 |r,c:16|
Show InChI InChI=1S/C30H27FN4O3S/c1-20-4-3-5-26(14-20)39(37,38)34-13-12-23-15-28-22(18-33-35(28)25-9-7-24(31)8-10-25)16-30(23,19-34)29(36)27-11-6-21(2)17-32-27/h3-11,14-15,17-18H,12-13,16,19H2,1-2H3/t30-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265796
PNG
(CHEMBL4067017)
Show SMILES Cc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(F)c1 |r,c:16|
Show InChI InChI=1S/C29H23F3N4O3S/c1-18-8-10-33-26(12-18)28(37)29-15-19-16-34-36(22-4-2-21(30)3-5-22)27(19)13-20(29)9-11-35(17-29)40(38,39)23-6-7-24(31)25(32)14-23/h2-8,10,12-14,16H,9,11,15,17H2,1H3/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499255
PNG
(CHEMBL3735008)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cscn1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O3S2/c28-20-3-5-21(6-4-20)35-24-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(24)13-33-35)25(36)23-14-39-16-32-23/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265804
PNG
(CHEMBL3735124)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-4-6-25(15-20)38(36,37)33-14-12-22-16-27-21(18-32-34(27)24-10-8-23(30)9-11-24)17-29(22,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265803
PNG
(CHEMBL4077976)
Show SMILES Cc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cc(F)cc(F)c1 |r,c:16|
Show InChI InChI=1S/C29H23F3N4O3S/c1-18-6-8-33-26(10-18)28(37)29-15-19-16-34-36(24-4-2-21(30)3-5-24)27(19)11-20(29)7-9-35(17-29)40(38,39)25-13-22(31)12-23(32)14-25/h2-6,8,10-14,16H,7,9,15,17H2,1H3/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50448167
PNG
(CHEMBL3120318)
Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C24H23NO3S/c1-3-20(17-10-8-11-19(15-17)25-29(2,26)27)24-21-12-5-4-9-18(21)16-28-23-14-7-6-13-22(23)24/h4-15,25H,3,16H2,1-2H3/b24-20+
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0.146n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells


J Med Chem 57: 849-60 (2014)


Article DOI: 10.1021/jm401616g
BindingDB Entry DOI: 10.7270/Q23X885F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265730
PNG
(CHEMBL4101325)
Show SMILES Cc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(c1)C#N |r,c:16|
Show InChI InChI=1S/C30H24FN5O3S/c1-20-9-11-33-27(13-20)29(37)30-16-22-18-34-36(25-7-5-24(31)6-8-25)28(22)15-23(30)10-12-35(19-30)40(38,39)26-4-2-3-21(14-26)17-32/h2-9,11,13-15,18H,10,12,16,19H2,1H3/t30-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151076
PNG
((4R)-4-[(1S,2S,7R,10R,11S,14R,15R,16S)-5-[2-({4-[(...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:58,65|
Show InChI InChI=1S/C53H73NO6/c1-7-53(59)25-23-44-41-16-11-34-28-37(55)15-18-39(34)49(41)42(31-51(44,53)4)33-9-13-36(14-10-33)54(6)26-27-60-38-22-24-50(3)35(29-38)12-17-40-45-20-19-43(32(2)8-21-48(57)58)52(45,5)47(56)30-46(40)50/h1,9-10,13-14,28,32,35,38,40-47,56,59H,8,11-12,15-27,29-31H2,2-6H3,(H,57,58)/t32-,35-,38?,40+,41+,42-,43-,44+,45+,46+,47+,50+,51+,52-,53+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265674
PNG
(CHEMBL3734774)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499257
PNG
(CHEMBL3736457)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cocn1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O4S/c28-20-3-5-21(6-4-20)35-24-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(24)13-33-35)25(36)23-14-39-16-32-23/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50410188
PNG
(CHEMBL2096708)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
Show InChI InChI=1S/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39+,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499256
PNG
(CHEMBL3736390)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccco1 |r,c:19|
Show InChI InChI=1S/C28H21F4N3O4S/c29-21-5-7-22(8-6-21)35-24-14-20-11-12-34(40(37,38)23-9-3-19(4-10-23)28(30,31)32)17-27(20,15-18(24)16-33-35)26(36)25-2-1-13-39-25/h1-10,13-14,16H,11-12,15,17H2/t27-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151077
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R)-5-[2-({4-[(1...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:58,65|
Show InChI InChI=1S/C53H73NO6/c1-7-53(59)25-22-43-40-15-11-34-28-37(55)14-16-39(34)48(40)41(31-52(43,53)5)33-9-12-36(13-10-33)54(6)26-27-60-38-20-23-50(3)35(29-38)30-46(56)49-44-18-17-42(32(2)8-19-47(57)58)51(44,4)24-21-45(49)50/h1,9-10,12-13,28,32,35,38,40-46,49,56,59H,8,11,14-27,29-31H2,2-6H3,(H,57,58)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,49+,50+,51-,52+,53+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499245
PNG
(CHEMBL3735710)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:15|
Show InChI InChI=1S/C29H25FN4O4S/c1-38-24-5-4-6-25(16-24)39(36,37)33-14-12-21-15-27-20(18-32-34(27)23-10-8-22(30)9-11-23)17-29(21,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265806
PNG
(CHEMBL4074627)
Show SMILES CCc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(c1)C#N |r,c:17|
Show InChI InChI=1S/C31H26FN5O3S/c1-2-21-10-12-34-28(15-21)30(38)31-17-23-19-35-37(26-8-6-25(32)7-9-26)29(23)16-24(31)11-13-36(20-31)41(39,40)27-5-3-4-22(14-27)18-33/h3-10,12,14-16,19H,2,11,13,17,20H2,1H3/t31-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
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