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Compile Data Set for Download or QSAR

Found 1476 hits of ec50 for UniProtKB: P04150   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206899
PNG
(CHEMBL3964460)
Show SMILES CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(ccc3[C@@H]12)C(=O)Nc1cccnc1C
Show InChI InChI=1S/C29H34N2O3/c1-5-13-29(33)14-12-23-22-11-8-19-16-20(27(32)31-24-7-6-15-30-18(24)2)9-10-21(19)26(22)25(34-4)17-28(23,29)3/h6-7,9-10,15-16,22-23,25-26,33H,8,11-12,14,17H2,1-4H3,(H,31,32)/t22-,23-,25-,26+,28-,29-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

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


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


(Homo sapiens (Human))		BDBM50206940
PNG
(CHEMBL3981243)
Show SMILES CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(ccc3[C@@H]12)C(=O)Nc1cccnc1C
Show InChI InChI=1S/C30H36N2O3/c1-5-14-30(34)15-13-24-23-12-9-20-17-21(28(33)32-25-8-7-16-31-19(25)3)10-11-22(20)27(23)26(35-6-2)18-29(24,30)4/h7-8,10-11,16-17,23-24,26-27,34H,6,9,12-13,15,18H2,1-4H3,(H,32,33)/t23-,24-,26-,27+,29-,30-/m0/s1
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n/an/an/an/a 0.0500n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

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


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


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



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		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/an/an/a 0.100n/an/an/an/a



Guangzhou University of Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human glucocorticoid receptor expressed in African green monkey CV1 cells by MMTV luciferase reporter gene assay

Eur J Med Chem 161: 192-204 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.020
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50440220
PNG
(CHEMBL2426624)
Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor ligand binding domain (unknown origin) transfected in human HeLa cells assessed as activation of NP-1 by G...

Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206900
PNG
(CHEMBL3895181)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@H](C[C@]12C)OCC=C)C(=O)Nc1cccnc1C
Show InChI InChI=1S/C31H36N2O3/c1-5-14-31(35)15-13-25-24-12-9-21-18-22(29(34)33-26-8-7-16-32-20(26)3)10-11-23(21)28(24)27(36-17-6-2)19-30(25,31)4/h6-8,10-11,16,18,24-25,27-28,35H,2,9,12-13,15,17,19H2,1,3-4H3,(H,33,34)/t24-,25-,27-,28+,30-,31-/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

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


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


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



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


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



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		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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 2.10 -11.0 1.40n/a 0.200n/an/a7.54



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18620
PNG
(2-{[(18Z)-13-hydroxy-12-methoxy-3,5,5-trimethyl-17...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C#N)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C26H22N2O3S/c1-14-12-26(2,3)28-17-6-5-16-23(22(14)17)20(11-21-15(13-27)9-10-32-21)31-19-8-7-18(29)25(30-4)24(16)19/h5-12,28-29H,1-4H3/b20-11-
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n/an/a 0.800n/a 0.200n/an/a7.5n/a



Ligand Pharmaceuticals Inc



Assay Description
GR-Mediated Agonist Activity Assay- GR-mediated activation by compounds is measured against maximal activation of dexamethasone in the same experimen...

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM18629
PNG
((18Z)-12-methoxy-3,5,5-trimethyl-18-({3-[(1S)-2,2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3[C@H](O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C27H24F3NO4S/c1-13-12-26(2,3)31-16-6-5-15-22(21(13)16)19(35-18-8-7-17(32)24(34-4)23(15)18)11-20-14(9-10-36-20)25(33)27(28,29)30/h5-12,25,31-33H,1-4H3/b19-11-/t25-/m0/s1
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n/an/a 0.200n/a 0.200n/an/a7.5n/a



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM50338317
PNG
((+/-)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramet...)
Show SMILES CCO\N=C\c1c(cc(C)c2NC(C)(C)[C@H](O)[C@@H](C)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C24H29N3O2/c1-6-29-26-13-19-18(17-9-7-8-16-10-11-25-22(16)17)12-14(2)21-20(19)15(3)23(28)24(4,5)27-21/h7-13,15,23,25,27-28H,6H2,1-5H3/b26-13+/t15-,23+/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...

Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50214932
PNG
((Z)-5-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cc(F)cc4COCOc34)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12
Show InChI InChI=1S/C29H28FNO5/c1-15-12-29(2,3)31-20-6-5-19-25(24(15)20)23(36-22-8-7-21(32)28(33-4)26(19)22)11-16-9-18(30)10-17-13-34-14-35-27(16)17/h5-12,20,24,31-32H,13-14H2,1-4H3/b23-11-
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n/an/an/an/a 0.200n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR by GRE activation assay

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


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


(Homo sapiens (Human))		BDBM50214928
PNG
((Z)-(2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12
Show InChI InChI=1S/C31H34N2O4S/c1-18-17-31(2,3)32-21-9-8-20-27(26(18)21)24(37-23-11-10-22(34)29(36-4)28(20)23)16-25-19(12-15-38-25)30(35)33-13-6-5-7-14-33/h8-12,15-17,21,26,32,34H,5-7,13-14H2,1-4H3/b24-16-
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n/an/an/an/a 0.200n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR by GRE activation assay

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


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


(Homo sapiens (Human))		BDBM18628
PNG
((18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-tri...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C27H24F3NO4S/c1-13-12-26(2,3)31-16-6-5-15-22(21(13)16)19(35-18-8-7-17(32)24(34-4)23(15)18)11-20-14(9-10-36-20)25(33)27(28,29)30/h5-12,25,31-33H,1-4H3/b19-11-
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 1.40 -11.2 0.400n/a 0.300n/an/a7.54



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM50440220
PNG
(CHEMBL2426624)
Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activation by luciferase reporter gene ass...

Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18615
PNG
((18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(piperidin...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(=O)N3CCCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C31H32N2O4S/c1-18-17-31(2,3)32-21-9-8-20-27(26(18)21)24(37-23-11-10-22(34)29(36-4)28(20)23)16-25-19(12-15-38-25)30(35)33-13-6-5-7-14-33/h8-12,15-17,32,34H,5-7,13-14H2,1-4H3/b24-16-
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n/an/a 1n/a 0.300n/an/a7.5n/a



Ligand Pharmaceuticals Inc



Assay Description
GR-Mediated Agonist Activity Assay- GR-mediated activation by compounds is measured against maximal activation of dexamethasone in the same experimen...

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM50354857
PNG
(CHEMBL1834538)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C35H36F2O7/c1-32-12-11-23(40)14-26(32)27(36)15-25-24-16-30-35(29(42)18-38,33(24,2)17-28(41)34(25,32)37)44-31(43-30)21-7-3-19(4-8-21)13-20-5-9-22(39)10-6-20/h3-12,14,24-25,27-28,30-31,38-39,41H,13,15-18H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 0.380n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity

Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18624
PNG
((18Z)-18-({3-[(1E)-1-(ethoxyimino)ethyl]thiophen-2...)
Show SMILES CCO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C29H30N2O4S/c1-7-34-31-17(3)18-12-13-36-24(18)14-23-26-19(27-22(35-23)11-10-21(32)28(27)33-6)8-9-20-25(26)16(2)15-29(4,5)30-20/h8-15,30,32H,7H2,1-6H3/b23-14-,31-17+
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n/an/a 0.5n/a 0.400n/an/a7.5n/a



Ligand Pharmaceuticals Inc



Assay Description
GR-Mediated Agonist Activity Assay- GR-mediated activation by compounds is measured against maximal activation of dexamethasone in the same experimen...

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM18631
PNG
((18Z)-18-[(3-cyclohexanecarbonylthiophen-2-yl)meth...)
Show SMILES COc1c(O)ccc2OC(=Cc3sccc3C(=O)C3CCCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C32H33NO4S/c1-18-17-32(2,3)33-22-11-10-21-28(27(18)22)25(37-24-13-12-23(34)31(36-4)29(21)24)16-26-20(14-15-38-26)30(35)19-8-6-5-7-9-19/h10-17,19,33-34H,5-9H2,1-4H3
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n/an/a 1n/a 0.400n/an/a7.5n/a



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM50354851
PNG
(FLUTICASONE FUROATE | Veramyst)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
Show InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged glucocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence...

J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50338318
PNG
((+/-)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramet...)
Show SMILES CO\N=C\c1c(cc(C)c2NC(C)(C)[C@H](O)[C@@H](C)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C23H27N3O2/c1-13-11-17(16-8-6-7-15-9-10-24-21(15)16)18(12-25-28-5)19-14(2)22(27)23(3,4)26-20(13)19/h6-12,14,22,24,26-27H,1-5H3/b25-12+/t14-,22+/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...

Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354853
PNG
(CHEMBL1834534)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C34H34F2O7/c1-31-13-12-20(38)14-25(31)26(35)15-24-23-16-29-34(28(40)18-37,32(23,2)17-27(39)33(24,31)36)43-30(42-29)19-8-10-22(11-9-19)41-21-6-4-3-5-7-21/h3-14,23-24,26-27,29-30,37,39H,15-18H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity

Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354851
PNG
(FLUTICASONE FUROATE | Veramyst)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
Show InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1
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n/an/an/an/a 0.490n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity

Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18626
PNG
((18Z)-12-methoxy-3,5,5-trimethyl-18-({3-[(2E)-pent...)
Show SMILES CC\C=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C30H31NO3S/c1-7-8-17(2)19-13-14-35-25(19)15-24-27-20(28-23(34-24)12-11-22(32)29(28)33-6)9-10-21-26(27)18(3)16-30(4,5)31-21/h8-16,31-32H,7H2,1-6H3/b17-8+,24-15-
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 4.40 -10.6 6.10n/a 0.5n/an/a7.54



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM50440219
PNG
(CHEMBL2426665)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h3-17,24H,1-2H3,(H,29,31,33)/t24-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of IL-1beta-induced NF-kappaB dependent E-selectin activation ...

Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18619
PNG
((18Z)-12-methoxy-3,5,5-trimethyl-18-[(3-{[(2,2,2-t...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3CNCC(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C28H27F3N2O3S/c1-15-12-27(2,3)33-18-6-5-17-24(23(15)18)21(36-20-8-7-19(34)26(35-4)25(17)20)11-22-16(9-10-37-22)13-32-14-28(29,30)31/h5-12,32-34H,13-14H2,1-4H3/b21-11-
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n/an/a 0.900n/a 0.5n/an/a7.5n/a



Ligand Pharmaceuticals Inc



Assay Description
GR-Mediated Agonist Activity Assay- GR-mediated activation by compounds is measured against maximal activation of dexamethasone in the same experimen...

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=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/an/a 0.600n/an/a7.5n/a



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50338324
PNG
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C20H20F2N2O/c1-10-15-14(24-20(2,3)19(10)25)9-13(21)16(17(15)22)12-6-4-5-11-7-8-23-18(11)12/h4-10,19,23-25H,1-3H3/t10-,19+/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...

Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50338324
PNG
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C20H20F2N2O/c1-10-15-14(24-20(2,3)19(10)25)9-13(21)16(17(15)22)12-6-4-5-11-7-8-23-18(11)12/h4-10,19,23-25H,1-3H3/t10-,19+/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with GRE assessed as GRE activation by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 1654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.104
BindingDB Entry DOI: 10.7270/Q21V5F8D
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50340663
PNG
(5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...)
Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12
Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+
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n/an/an/an/a 0.600n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with GRE assessed as GRE activation by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 1654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.104
BindingDB Entry DOI: 10.7270/Q21V5F8D
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50338324
PNG
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C20H20F2N2O/c1-10-15-14(24-20(2,3)19(10)25)9-13(21)16(17(15)22)12-6-4-5-11-7-8-23-18(11)12/h4-10,19,23-25H,1-3H3/t10-,19+/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...

Bioorg Med Chem Lett 21: 1658-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.106
BindingDB Entry DOI: 10.7270/Q2VQ32Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50214949
PNG
((Z)-5-(2-fluorobenzylidene)-10-methoxy-2,2,4-trime...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12
Show InChI InChI=1S/C27H26FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,19,23,29-30H,1-4H3/b22-13-
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n/an/an/an/a 0.600n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR by GRE activation assay

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


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


(Homo sapiens (Human))		BDBM18633
PNG
((18Z)-18-{[3-(1-hydroxypentyl)thiophen-2-yl]methyl...)
Show SMILES CCCCC(O)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C30H33NO4S/c1-6-7-8-21(32)18-13-14-36-25(18)15-24-27-19(28-23(35-24)12-11-22(33)29(28)34-5)9-10-20-26(27)17(2)16-30(3,4)31-20/h9-16,21,31-33H,6-8H2,1-5H3/b24-15-
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n/an/a 0.900n/a 0.600n/an/a7.5n/a



Ligand Pharmaceuticals Inc



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

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM18621
PNG
(1-(2-{[(18Z)-13-hydroxy-12-methoxy-3,5,5-trimethyl...)
Show SMILES COc1c(O)ccc2OC(=Cc3sccc3C(C)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C27H25NO4S/c1-14-13-27(3,4)28-18-7-6-17-24(23(14)18)21(12-22-16(15(2)29)10-11-33-22)32-20-9-8-19(30)26(31-5)25(17)20/h6-13,28,30H,1-5H3
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n/an/a 0.300n/a 0.600n/an/a7.5n/a



Ligand Pharmaceuticals Inc



Assay Description
GR-Mediated Agonist Activity Assay- GR-mediated activation by compounds is measured against maximal activation of dexamethasone in the same experimen...

J Med Chem 50: 4699-709 (2007)


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


(Homo sapiens (Human))		BDBM50048344
PNG
(CHEMBL3315066)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@H](F)C1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H26F2N4O4/c1-28(2,26(36)33-27(31)37)22-18-4-3-5-20(30)23(18)38-24-19(22)10-11-21(32-24)15-6-8-16(9-7-15)25(35)34-13-12-17(29)14-34/h3-11,17,22H,12-14H2,1-2H3,(H3,31,33,36,37)/t17-,22-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as E-selectin transrepression by luciferase reporter gene assay

Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50440101
PNG
(CHEMBL2426119)
Show SMILES CC(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23F4N3O2S/c1-17(14-31-35(33,34)16-25(27,28)29)24(18-5-3-2-4-6-18)19-7-12-23-20(13-19)15-30-32(23)22-10-8-21(26)9-11-22/h2-13,15,17,24,31H,14,16H2,1H3/t17?,24-/m0/s1
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n/an/an/an/a 0.660n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human A549 cells assessed as inhibition of IL1beta-stimulated NFkappaB-dependent E-selectin tr...

Bioorg Med Chem Lett 23: 5448-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine amino transferase

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


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


(Homo sapiens (Human))		BDBM50214933
PNG
((Z)-10-methoxy-2,2,4-trimethyl-5-((6-methylpyridin...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)n3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12
Show InChI InChI=1S/C27H28N2O3/c1-15-14-27(3,4)29-19-10-9-18-24(23(15)19)22(13-17-8-6-7-16(2)28-17)32-21-12-11-20(30)26(31-5)25(18)21/h6-14,19,23,29-30H,1-5H3/b22-13-
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n/an/an/an/a 0.700n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR by GRE activation assay

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


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


(Homo sapiens (Human))		BDBM50354855
PNG
(CHEMBL1834536)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C33H39F2NO7/c1-30-8-7-21(38)13-24(30)25(34)14-23-22-15-28-33(27(40)18-37,31(22,2)16-26(39)32(23,30)35)43-29(42-28)20-5-3-19(4-6-20)17-36-9-11-41-12-10-36/h3-8,13,22-23,25-26,28-29,37,39H,9-12,14-18H2,1-2H3/t22-,23-,25-,26-,28+,29+,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 0.710n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity

Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354852
PNG
(CHEMBL1834533)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C35H36F2O6/c1-32-13-12-23(39)15-26(32)27(36)16-25-24-17-30-35(29(41)19-38,33(24,2)18-28(40)34(25,32)37)43-31(42-30)22-10-8-21(9-11-22)14-20-6-4-3-5-7-20/h3-13,15,24-25,27-28,30-31,38,40H,14,16-19H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity

Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50334054
PNG
((+/-)-(3R,4S)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-t...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C21H23ClN2O/c1-11-10-15(14-7-5-6-13-8-9-23-19(13)14)17(22)16-12(2)20(25)21(3,4)24-18(11)16/h5-10,12,20,23-25H,1-4H3/t12-,20+/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with GRE assessed as transactivation activity by luciferase reporter ...

Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50048344
PNG
(CHEMBL3315066)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@H](F)C1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H26F2N4O4/c1-28(2,26(36)33-27(31)37)22-18-4-3-5-20(30)23(18)38-24-19(22)10-11-21(32-24)15-6-8-16(9-7-15)25(35)34-13-12-17(29)14-34/h3-11,17,22H,12-14H2,1-2H3,(H3,31,33,36,37)/t17-,22-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as AP-1 transrepression by luciferase reporter gene assay

Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50338321
PNG
((+/-)-(3R,4S)-6-(1H-indol-7-yl)-2,2,4,5,8-pentamet...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(C)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C22H26N2O/c1-12-11-17(16-8-6-7-15-9-10-23-20(15)16)13(2)18-14(3)21(25)22(4,5)24-19(12)18/h6-11,14,21,23-25H,1-5H3/t14-,21+/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...

Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
Show InChI InChI=1S/C24H25FN2OS/c1-23-13-16-14-26-27(20-8-6-19(25)7-9-20)21(16)12-17(23)4-3-5-22(23)24(2,28)18-10-11-29-15-18/h6-12,14-15,22,28H,3-5,13H2,1-2H3/t22-,23-,24+/m0/s1
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n/an/an/an/a 0.960n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells

Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
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/an/an/a 1n/an/an/an/a



MerLion Pharmaceuticals Pte Ltd

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor in human A549 cells assessed as effect on GRE promoter response by luciferase reporter assay

J Nat Prod 69: 707-9 (2006)


Article DOI: 10.1021/np050528n
BindingDB Entry DOI: 10.7270/Q2QJ7J6M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19217
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN2OS/c1-23-12-16-13-25-26(19-7-5-18(24)6-8-19)21(16)11-17(23)3-2-4-20(23)22(27)15-9-10-28-14-15/h5-11,13-14,20,22,27H,2-4,12H2,1H3/t20-,22+,23+/m1/s1
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n/an/a 5.10n/a 1n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...

Bioorg Med Chem Lett 17: 3354-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.103
BindingDB Entry DOI: 10.7270/Q2542KVJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
Show InChI InChI=1S/C24H25FN2OS/c1-23-13-16-14-26-27(20-8-6-19(25)7-9-20)21(16)12-17(23)4-3-5-22(23)24(2,28)18-10-11-29-15-18/h6-12,14-15,22,28H,3-5,13H2,1-2H3/t22-,23-,24+/m0/s1
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n/an/a 0.800n/a 1n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...

J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
Show InChI InChI=1S/C24H25FN2OS/c1-23-13-16-14-26-27(20-8-6-19(25)7-9-20)21(16)12-17(23)4-3-5-22(23)24(2,28)18-10-11-29-15-18/h6-12,14-15,22,28H,3-5,13H2,1-2H3/t22-,23-,24+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...

J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
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/an/an/a 1n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Effective agonist concentration for transcriptional repression of IL-6 production in IL-1 stimulated human foreskin fibroblasts

Bioorg Med Chem Lett 15: 4761-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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