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PubMed code 15808489

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
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/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19224
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5|
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/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		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 |c:9|
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/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19210
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(F)cc1 |r,t:5|
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/a 4.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19223
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5|
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/a 5.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
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/a 5.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		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 |c:9|
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/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		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 |c:9|
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/a 7.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		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 |c:9|
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/a 9.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		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 |c:9|
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/a 10.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		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 |c:9|
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/a 13.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19190
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)C=C[C@]12C |r,c:27,t:23|
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/a 13.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		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 |c:9|
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/a 23.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19220
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc2ccccc2s1 |r,t:5|
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/a 29.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone

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))		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
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 36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 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))		BDBM19190
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)C=C[C@]12C |r,c:27,t:23|
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 24n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 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))		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 |c:9|
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 38n/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


(MOUSE)		BDBM19220
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc2ccccc2s1 |r,t:5|
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)


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))		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 |c:9|
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 13n/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


(MOUSE)		BDBM19190
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)C=C[C@]12C |r,c:27,t:23|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)		BDBM19224
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5|
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 11n/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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)		BDBM19220
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc2ccccc2s1 |r,t:5|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(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 |c:9|
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)


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))		BDBM19224
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5|
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 356n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 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


(MOUSE)		BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)		BDBM19210
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(F)cc1 |r,t:5|
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)


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))		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 |c:9|
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 13n/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))		BDBM19210
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(F)cc1 |r,t:5|
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 3.20n/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


(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 |c:9|
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)


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))		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 |c:9|
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 21n/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))		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 |c:9|
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 4.44E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 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


(MOUSE)		BDBM19190
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)C=C[C@]12C |r,c:27,t:23|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(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 |c:9|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)		BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(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 |c:9|
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)


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))		BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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 521n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 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


(MOUSE)		BDBM19223
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5|
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)


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))		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
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


(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 |c:9|
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)


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))		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 |c:9|
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 2.70n/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


(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 |c:9|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(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 |c:9|
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)


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))		BDBM19223
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5|
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 18n/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))		BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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 14.4n/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


(MOUSE)		BDBM19210
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(F)cc1 |r,t:5|
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)


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))		BDBM19190
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)C=C[C@]12C |r,c:27,t:23|
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 4.5n/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))		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 |c:9|
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 31n/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))		BDBM19220
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc2ccccc2s1 |r,t:5|
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 19n/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))		BDBM19224
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5|
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 6n/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))		BDBM19210
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(F)cc1 |r,t:5|
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 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 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


(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 |c:9|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)		BDBM19224
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(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 |c:9|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(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 |c:9|
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)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
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)


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))		BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
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 9.70n/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))		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 |c:9|
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 37n/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


(MOUSE)		BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
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)


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))		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 |c:9|
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 1.07E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 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
* indicates data uncertainty>20%