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Compile Data Set for Download or QSAR

Found 520 hits with Last Name = 'skone' and Initial = 'pa'   
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))
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 |r,c:12,t:8|
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/a 0.0398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414604
PNG
(CHEMBL551816)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3
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n/an/a 0.0794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414609
PNG
(CHEMBL550730)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F
Show InChI InChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3
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n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414604
PNG
(CHEMBL551816)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3
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n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414609
PNG
(CHEMBL550730)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F
Show InChI InChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414610
PNG
(CHEMBL564160)
Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F
Show InChI InChI=1S/C27H25F5N4O2/c1-3-35(25(37)20-6-4-5-7-22(20)29)16-26(38,27(30,31)32)15-33-23-12-17(2)13-24-21(23)14-34-36(24)19-10-8-18(28)9-11-19/h4-14,33,38H,3,15-16H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414611
PNG
(CHEMBL560797)
Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F
Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)20-11-7-8-12-22(20)28)17-26(37,27(29,30)31)16-32-23-13-18(2)14-24-21(23)15-33-35(24)19-9-5-4-6-10-19/h4-15,32,37H,3,16-17H2,1-2H3
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n/an/a 0.251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414607
PNG
(CHEMBL563812)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C26H23ClF4N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)27)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(28)11-13-18/h3-14,32,37H,2,15-16H2,1H3
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n/an/a 0.251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414608
PNG
(CHEMBL550933)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1C
Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)21-8-5-4-7-18(21)2)17-26(37,27(29,30)31)16-32-23-9-6-10-24-22(23)15-33-35(24)20-13-11-19(28)12-14-20/h4-15,32,37H,3,16-17H2,1-2H3
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414612
PNG
(CHEMBL559115)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F
Show InChI InChI=1S/C26H24F4N4O2/c1-2-33(24(35)19-11-6-7-12-21(19)27)17-25(36,26(28,29)30)16-31-22-13-8-14-23-20(22)15-32-34(23)18-9-4-3-5-10-18/h3-15,31,36H,2,16-17H2,1H3
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414605
PNG
(CHEMBL556231)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C26H22F6N4O2/c1-2-35(24(37)23-19(28)5-3-6-20(23)29)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(27)10-12-17/h3-13,33,38H,2,14-15H2,1H3
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414615
PNG
(CHEMBL559942)
Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1
Show InChI InChI=1S/C27H27F3N4O2/c1-3-33(25(35)20-10-6-4-7-11-20)18-26(36,27(28,29)30)17-31-23-14-19(2)15-24-22(23)16-32-34(24)21-12-8-5-9-13-21/h4-16,31,36H,3,17-18H2,1-2H3
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414613
PNG
(CHEMBL561475)
Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1
Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)19-7-5-4-6-8-19)17-26(37,27(29,30)31)16-32-23-13-18(2)14-24-22(23)15-33-35(24)21-11-9-20(28)10-12-21/h4-15,32,37H,3,16-17H2,1-2H3
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423193
PNG
(CHEMBL235208)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34)
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n/an/a 0.460n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423193
PNG
(CHEMBL235208)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34)
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n/an/a 0.460n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411479
PNG
(CHEMBL238360)
Show SMILES Cc1ccc2c(NCC(O)(CC3(C)CCCc4ccccc34)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C25H27F3N2O/c1-17-12-13-19-21(10-5-11-22(19)30-17)29-16-24(31,25(26,27)28)15-23(2)14-6-8-18-7-3-4-9-20(18)23/h3-5,7,9-13,29,31H,6,8,14-16H2,1-2H3
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n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414606
PNG
(CHEMBL550258)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1C
Show InChI InChI=1S/C28H28F4N4O2/c1-4-35(26(37)25-18(2)7-5-8-19(25)3)17-27(38,28(30,31)32)16-33-23-9-6-10-24-22(23)15-34-36(24)21-13-11-20(29)12-14-21/h5-15,33,38H,4,16-17H2,1-3H3
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n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414614
PNG
(CHEMBL561276)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1
Show InChI InChI=1S/C26H24F4N4O2/c1-2-33(24(35)18-7-4-3-5-8-18)17-25(36,26(28,29)30)16-31-22-9-6-10-23-21(22)15-32-34(23)20-13-11-19(27)12-14-20/h3-15,31,36H,2,16-17H2,1H3
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n/an/a 0.794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414618
PNG
(CHEMBL563595)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1
Show InChI InChI=1S/C26H25F3N4O2/c1-2-32(24(34)19-10-5-3-6-11-19)18-25(35,26(27,28)29)17-30-22-14-9-15-23-21(22)16-31-33(23)20-12-7-4-8-13-20/h3-16,30,35H,2,17-18H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 1.17n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411047
PNG
(CHEMBL211441)
Show SMILES CCC(CC)C1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C28H31F3N2O4/c1-4-19(5-2)26(14-8-10-18-9-6-7-11-23(18)26)16-27(36,28(29,30)31)25(35)32-20-12-13-21-22(15-20)17(3)33-37-24(21)34/h6-7,9,11-13,15,19,36H,4-5,8,10,14,16H2,1-3H3,(H,32,35)
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411047
PNG
(CHEMBL211441)
Show SMILES CCC(CC)C1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C28H31F3N2O4/c1-4-19(5-2)26(14-8-10-18-9-6-7-11-23(18)26)16-27(36,28(29,30)31)25(35)32-20-12-13-21-22(15-20)17(3)33-37-24(21)34/h6-7,9,11-13,15,19,36H,4-5,8,10,14,16H2,1-3H3,(H,32,35)
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411487
PNG
(CHEMBL236229)
Show SMILES CCC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H27F3N2O/c1-2-23(13-6-9-18-7-3-4-10-21(18)23)16-24(31,25(26,27)28)17-30-22-11-5-8-19-15-29-14-12-20(19)22/h3-5,7-8,10-12,14-15,30-31H,2,6,9,13,16-17H2,1H3
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n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414623
PNG
(CHEMBL394168)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34)
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n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411480
PNG
(CHEMBL398572)
Show SMILES CCC1(CC(O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H26F3NO/c1-2-23(14-7-9-18-8-3-5-11-21(18)23)17-24(30,25(26,27)28)16-19-13-15-29-22-12-6-4-10-20(19)22/h3-6,8,10-13,15,30H,2,7,9,14,16-17H2,1H3
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n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414623
PNG
(CHEMBL394168)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34)
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n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411489
PNG
(CHEMBL238147)
Show SMILES CCC1(CC(O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H29F3N2O/c1-3-24(15-7-9-19-8-4-5-10-21(19)24)16-25(32,26(27,28)29)17-30-22-11-6-12-23-20(22)14-13-18(2)31-23/h4-6,8,10-14,30,32H,3,7,9,15-17H2,1-2H3
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n/an/a 1.95n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411024
PNG
(CHEMBL208996)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(CCCc4ccccc34)C3CCCC3)C(F)(F)F)cc12
Show InChI InChI=1S/C28H29F3N2O4/c1-17-22-15-20(12-13-21(22)24(34)37-33-17)32-25(35)27(36,28(29,30)31)16-26(19-9-3-4-10-19)14-6-8-18-7-2-5-11-23(18)26/h2,5,7,11-13,15,19,36H,3-4,6,8-10,14,16H2,1H3,(H,32,35)/t26-,27-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411024
PNG
(CHEMBL208996)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(CCCc4ccccc34)C3CCCC3)C(F)(F)F)cc12
Show InChI InChI=1S/C28H29F3N2O4/c1-17-22-15-20(12-13-21(22)24(34)37-33-17)32-25(35)27(36,28(29,30)31)16-26(19-9-3-4-10-19)14-6-8-18-7-2-5-11-23(18)26/h2,5,7,11-13,15,19,36H,3-4,6,8-10,14,16H2,1H3,(H,32,35)/t26-,27-/m1/s1
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n/an/a 2.04n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411487
PNG
(CHEMBL236229)
Show SMILES CCC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H27F3N2O/c1-2-23(13-6-9-18-7-3-4-10-21(18)23)16-24(31,25(26,27)28)17-30-22-11-5-8-19-15-29-14-12-20(19)22/h3-5,7-8,10-12,14-15,30-31H,2,6,9,13,16-17H2,1H3
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n/an/a 2.19n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411489
PNG
(CHEMBL238147)
Show SMILES CCC1(CC(O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H29F3N2O/c1-3-24(15-7-9-19-8-4-5-10-21(19)24)16-25(32,26(27,28)29)17-30-22-11-6-12-23-20(22)14-13-18(2)31-23/h4-6,8,10-14,30,32H,3,7,9,15-17H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414619
PNG
(CHEMBL559547)
Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H25F3N4O3S/c1-2-31(36(34,35)20-12-7-4-8-13-20)18-24(33,25(26,27)28)17-29-22-14-9-15-23-21(22)16-30-32(23)19-10-5-3-6-11-19/h3-16,29,33H,2,17-18H2,1H3
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423192
PNG
(CHEMBL237973)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423192
PNG
(CHEMBL237973)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411026
PNG
(CHEMBL214336)
Show SMILES CC(C)C1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O4/c1-15(2)24(12-6-8-17-7-4-5-9-21(17)24)14-25(34,26(27,28)29)23(33)30-18-10-11-19-20(13-18)16(3)31-35-22(19)32/h4-5,7,9-11,13,15,34H,6,8,12,14H2,1-3H3,(H,30,33)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411477
PNG
(CHEMBL393551)
Show SMILES CC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(13-5-8-17-7-2-3-10-19(17)22)15-23(30,24(25,26)27)16-29-21-12-4-11-20-18(21)9-6-14-28-20/h2-4,6-7,9-12,14,29-30H,5,8,13,15-16H2,1H3
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n/an/a 3.09n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411039
PNG
(CHEMBL385450)
Show SMILES CCCCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C27H29F3N2O4/c1-3-4-13-25(14-7-9-18-8-5-6-10-22(18)25)16-26(35,27(28,29)30)24(34)31-19-11-12-20-21(15-19)17(2)32-36-23(20)33/h5-6,8,10-12,15,35H,3-4,7,9,13-14,16H2,1-2H3,(H,31,34)
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n/an/a 3.10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of fluorescent-labeled Dexamethasone binding to GR


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50414616
PNG
(CHEMBL558716)
Show SMILES CCCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1
Show InChI InChI=1S/C27H27F3N4O2/c1-2-16-33(25(35)20-10-5-3-6-11-20)19-26(36,27(28,29)30)18-31-23-14-9-15-24-22(23)17-32-34(24)21-12-7-4-8-13-21/h3-15,17,31,36H,2,16,18-19H2,1H3
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n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 19: 4846-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.020
BindingDB Entry DOI: 10.7270/Q2RR20HH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50254466
PNG
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)
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n/an/a 3.16n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411036
PNG
(CHEMBL383890)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C3CCCCC3)C(F)(F)F)cc12
Show InChI InChI=1S/C29H31F3N2O4/c1-18-23-16-21(13-14-22(23)25(35)38-34-18)33-26(36)28(37,29(30,31)32)17-27(20-10-3-2-4-11-20)15-7-9-19-8-5-6-12-24(19)27/h5-6,8,12-14,16,20,37H,2-4,7,9-11,15,17H2,1H3,(H,33,36)
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n/an/a 3.30n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411020
PNG
(CHEMBL211266)
Show SMILES CC(C)CC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C27H29F3N2O4/c1-16(2)14-25(12-6-8-18-7-4-5-9-22(18)25)15-26(35,27(28,29)30)24(34)31-19-10-11-20-21(13-19)17(3)32-36-23(20)33/h4-5,7,9-11,13,16,35H,6,8,12,14-15H2,1-3H3,(H,31,34)
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n/an/a 3.5n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of fluorescent-labeled Dexamethasone binding to GR


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423191
PNG
(CHEMBL234988)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34)
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n/an/a 3.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423191
PNG
(CHEMBL234988)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34)
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n/an/a 3.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411488
PNG
(CHEMBL236018)
Show SMILES CCC1(CC(O)(Cc2cc3c(C)cc(cc3[nH]2)C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O/c1-3-24(10-6-8-19-7-4-5-9-22(19)24)16-25(32,26(27,28)29)14-20-13-21-17(2)11-18(15-30)12-23(21)31-20/h4-5,7,9,11-13,31-32H,3,6,8,10,14,16H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50419265
PNG
(CHEMBL1835069)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423191
PNG
(CHEMBL234988)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34)
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n/an/a 4.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
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