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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(MOUSE)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
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/a 2.20n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor


J Med Chem 43: 5010-6 (2001)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50409115
PNG
(LONAPRISAN)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor


J Med Chem 43: 5010-6 (2001)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50041896
PNG
(CHEMBL3358954)
Show SMILES CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
Show InChI InChI=1/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/s2
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n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in mouse RAW cells assessed as suppression of TNF-alpha-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165102
PNG
((S)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2N3O/c1-24-12-16-14-28-29(19-8-6-18(25)7-9-19)21(16)11-17(24)3-2-4-20(24)23(30)15-5-10-22(26)27-13-15/h5-11,13-14,20,23,30H,2-4,12H2,1H3/t20-,23-,24+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
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 5.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165106
PNG
((R)-(5-Chloro-thiophen-2-yl)-[(4aR,5S)-1-(4-fluoro...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Cl)s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22ClFN2OS/c1-23-12-14-13-26-27(17-7-5-16(25)6-8-17)19(14)11-15(23)3-2-4-18(23)22(28)20-9-10-21(24)29-20/h5-11,13,18,22,28H,2-4,12H2,1H3/t18-,22-,23+/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19220
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)c1cc2ccccc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-18-16-29-30(21-11-9-20(28)10-12-21)23(18)14-19(27)6-4-7-22(27)26(31)25-13-17-5-2-3-8-24(17)32-25/h2-3,5,8-14,16,22,26,31H,4,6-7,15H2,1H3/t22-,26-,27+/m1/s1
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n/an/an/an/a 42n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165105
PNG
((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1cccs1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN2OS/c1-23-13-15-14-25-26(18-9-7-17(24)8-10-18)20(15)12-16(23)4-2-5-19(23)22(27)21-6-3-11-28-21/h3,6-12,14,19,22,27H,2,4-5,13H2,1H3/t19-,22-,23+/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165101
PNG
((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN3O/c1-24-14-17-15-27-28(20-7-5-19(25)6-8-20)22(17)13-18(24)3-2-4-21(24)23(29)16-9-11-26-12-10-16/h5-13,15,21,23,29H,2-4,14H2,1H3/t21-,23+,24+/m1/s1
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n/an/an/an/a 215n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165106
PNG
((R)-(5-Chloro-thiophen-2-yl)-[(4aR,5S)-1-(4-fluoro...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Cl)s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22ClFN2OS/c1-23-12-14-13-26-27(17-7-5-16(25)6-8-17)19(14)11-15(23)3-2-4-18(23)22(28)20-9-10-21(24)29-20/h5-11,13,18,22,28H,2-4,12H2,1H3/t18-,22-,23+/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165103
PNG
((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccoc1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN2O2/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/an/an/a 45n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19220
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)c1cc2ccccc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-18-16-29-30(21-11-9-20(28)10-12-21)23(18)14-19(27)6-4-7-22(27)26(31)25-13-17-5-2-3-8-24(17)32-25/h2-3,5,8-14,16,22,26,31H,4,6-7,15H2,1H3/t22-,26-,27+/m1/s1
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n/an/an/an/a 1.21E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19192
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)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24+,25+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165104
PNG
((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2N3O/c1-24-12-16-14-28-29(19-8-6-18(25)7-9-19)21(16)11-17(24)3-2-4-20(24)23(30)15-5-10-22(26)27-13-15/h5-11,13-14,20,23,30H,2-4,12H2,1H3/t20-,23+,24+/m1/s1
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n/an/an/an/a 260n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165104
PNG
((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2N3O/c1-24-12-16-14-28-29(19-8-6-18(25)7-9-19)21(16)11-17(24)3-2-4-20(24)23(30)15-5-10-22(26)27-13-15/h5-11,13-14,20,23,30H,2-4,12H2,1H3/t20-,23+,24+/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
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 8.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19210
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2O/c1-26-15-18-16-29-30(22-11-9-21(28)10-12-22)24(18)14-19(26)3-2-4-23(26)25(31)13-17-5-7-20(27)8-6-17/h5-12,14,16,23,25,31H,2-4,13,15H2,1H3/t23-,25+,26+/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19224
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26-,27+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165102
PNG
((S)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2N3O/c1-24-12-16-14-28-29(19-8-6-18(25)7-9-19)21(16)11-17(24)3-2-4-20(24)23(30)15-5-10-22(26)27-13-15/h5-11,13-14,20,23,30H,2-4,12H2,1H3/t20-,23-,24+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19210
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2O/c1-26-15-18-16-29-30(22-11-9-21(28)10-12-22)24(18)14-19(26)3-2-4-23(26)25(31)13-17-5-7-20(27)8-6-17/h5-12,14,16,23,25,31H,2-4,13,15H2,1H3/t23-,25+,26+/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50165100
PNG
((R)-(2,5-Dichloro-thiophen-3-yl)-[(4aR,5S)-1-(4-fl...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1cc(Cl)sc1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21Cl2FN2OS/c1-23-11-13-12-27-28(16-7-5-15(26)6-8-16)19(13)9-14(23)3-2-4-18(23)21(29)17-10-20(24)30-22(17)25/h5-10,12,18,21,29H,2-4,11H2,1H3/t18-,21+,23+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19223
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)c1csc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26+,27+/m1/s1
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n/an/an/an/a 54n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19224
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26-,27+/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


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

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50016931
PNG
(CHEBI:31677 | HYDROCORTISONE HEMISUCCINATE | Hydro...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM13775
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50016932
PNG
(CHEMBL3273976)
Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)N(CCCl)CCCl
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)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50016933
PNG
(CHEMBL3273977)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)N(CCCl)CCCl
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)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50153594
PNG
(CHEMBL3774855)
Show SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1
Show InChI InChI=1/C28H39N5O2/c1-16(2)10-20-12-21(13-20)26-30-31-27(33(26)22-7-8-22)23-14-32(19(5)34)15-24(23)28(35)29-25-9-6-17(3)11-18(25)4/h6,9,11,16,20-24H,7-8,10,12-15H2,1-5H3,(H,29,35)/t20-,21+,23-,24-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse GR


ACS Med Chem Lett 7: 23-7 (2016)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


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

More data for this
Ligand-Target Pair