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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'washington' and Initial = 'm'   
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))
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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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
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))
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))
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))
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))
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))
BDBM50411048
PNG
(CHEMBL386448)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C3CC3)C(F)(F)F)cc12
Show InChI InChI=1S/C26H25F3N2O4/c1-15-20-13-18(10-11-19(20)22(32)35-31-15)30-23(33)25(34,26(27,28)29)14-24(17-8-9-17)12-4-6-16-5-2-3-7-21(16)24/h2-3,5,7,10-11,13,17,34H,4,6,8-9,12,14H2,1H3,(H,30,33)
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n/an/a 4.70n/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))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Activity at GR assessed as ability to antagonize dexamethasone-induced MMTV luciferase reporter gene transactivation 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))
BDBM50411037
PNG
(CHEMBL213453)
Show SMILES CCCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O4/c1-3-12-24(13-6-8-17-7-4-5-9-21(17)24)15-25(34,26(27,28)29)23(33)30-18-10-11-19-20(14-18)16(2)31-35-22(19)32/h4-5,7,9-11,14,34H,3,6,8,12-13,15H2,1-2H3,(H,30,33)
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n/an/a 4.70n/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))
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 4.80n/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))
BDBM50411035
PNG
(CHEMBL210185)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C3CCC3)C(F)(F)F)cc12
Show InChI InChI=1S/C27H27F3N2O4/c1-16-21-14-19(11-12-20(21)23(33)36-32-16)31-24(34)26(35,27(28,29)30)15-25(18-8-4-9-18)13-5-7-17-6-2-3-10-22(17)25/h2-3,6,10-12,14,18,35H,4-5,7-9,13,15H2,1H3,(H,31,34)
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n/an/a 4.90n/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))
BDBM50411023
PNG
(CHEMBL208779)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C25H24F3N3O6/c1-3-23(11-5-6-17-19(23)7-4-8-20(17)31(35)36)13-24(34,25(26,27)28)22(33)29-15-9-10-16-18(12-15)14(2)30-37-21(16)32/h4,7-10,12,34H,3,5-6,11,13H2,1-2H3,(H,29,33)
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n/an/a 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))
BDBM50411033
PNG
(CHEMBL211387)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c(Cl)cccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20ClF3N2O4/c1-12-18-10-14(8-9-17(18)20(30)33-29-12)28-21(31)22(32,23(25,26)27)11-13-4-2-6-16-15(13)5-3-7-19(16)24/h3,5,7-10,13,32H,2,4,6,11H2,1H3,(H,28,31)
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n/an/a 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))
BDBM50411030
PNG
(CHEMBL210077)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H25F3N2O4/c1-3-23(12-6-8-16-7-4-5-9-20(16)23)14-24(33,25(26,27)28)22(32)29-17-10-11-18-19(13-17)15(2)30-34-21(18)31/h4-5,7,9-11,13,33H,3,6,8,12,14H2,1-2H3,(H,29,32)
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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))
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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n/an/a 5.20n/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))
BDBM50411037
PNG
(CHEMBL213453)
Show SMILES CCCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O4/c1-3-12-24(13-6-8-17-7-4-5-9-21(17)24)15-25(34,26(27,28)29)23(33)30-18-10-11-19-20(14-18)16(2)31-35-22(19)32/h4-5,7,9-11,14,34H,3,6,8,12-13,15H2,1-2H3,(H,30,33)
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n/an/a 5.60n/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))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 5.80n/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
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411030
PNG
(CHEMBL210077)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H25F3N2O4/c1-3-23(12-6-8-16-7-4-5-9-20(16)23)14-24(33,25(26,27)28)22(32)29-17-10-11-18-19(13-17)15(2)30-34-21(18)31/h4-5,7,9-11,13,33H,3,6,8,12,14H2,1-2H3,(H,29,32)
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n/an/a 6.20n/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))
BDBM50411029
PNG
(CHEMBL212312)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c(Br)cccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20BrF3N2O4/c1-12-18-10-14(8-9-17(18)20(30)33-29-12)28-21(31)22(32,23(25,26)27)11-13-4-2-6-16-15(13)5-3-7-19(16)24/h3,5,7-10,13,32H,2,4,6,11H2,1H3,(H,28,31)
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n/an/a 6.30n/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))
BDBM50411041
PNG
(CHEMBL213621)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C25H24F3N3O6/c1-3-23(10-4-5-15-6-8-17(31(35)36)12-20(15)23)13-24(34,25(26,27)28)22(33)29-16-7-9-18-19(11-16)14(2)30-37-21(18)32/h6-9,11-12,34H,3-5,10,13H2,1-2H3,(H,29,33)
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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))
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 6.60n/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))
BDBM50411032
PNG
(CHEMBL209259)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C25H24F3N3O6/c1-3-23(10-4-5-15-11-17(31(35)36)7-9-20(15)23)13-24(34,25(26,27)28)22(33)29-16-6-8-18-19(12-16)14(2)30-37-21(18)32/h6-9,11-12,34H,3-5,10,13H2,1-2H3,(H,29,33)
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n/an/a 7.90n/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))
BDBM50411049
PNG
(CHEMBL190838)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H21F3N2O4/c1-13-19-11-16(9-10-18(19)20(29)32-28-13)27-21(30)22(31,23(24,25)26)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,31H,4,6-7,12H2,1H3,(H,27,30)
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n/an/a 7.90n/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))
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 7.90n/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
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411022
PNG
(CHEMBL377154)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C)CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O4/c1-14-18-12-16(9-10-17(18)20(30)33-29-14)28-21(31)23(32,24(25,26)27)13-22(2)11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,32H,5,7,11,13H2,1-2H3,(H,28,31)
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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))
BDBM50411045
PNG
(CHEMBL208840)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O4/c1-3-24(13-7-6-9-17-8-4-5-10-21(17)24)15-25(34,26(27,28)29)23(33)30-18-11-12-19-20(14-18)16(2)31-35-22(19)32/h4-5,8,10-12,14,34H,3,6-7,9,13,15H2,1-2H3,(H,30,33)
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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))
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 8.10n/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))
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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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))
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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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
Lck


(Mus musculus)
BDBM26166
PNG
(2,4-dianilino pyrimidine, 23 | 3-({4-[(5-hydroxy-2...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17N5O3S/c1-11-5-6-13(23)10-15(11)21-16-7-8-19-17(22-16)20-12-3-2-4-14(9-12)26(18,24)25/h2-10,23H,1H3,(H2,18,24,25)(H2,19,20,21,22)
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GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411035
PNG
(CHEMBL210185)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C3CCC3)C(F)(F)F)cc12
Show InChI InChI=1S/C27H27F3N2O4/c1-16-21-14-19(11-12-20(21)23(33)36-32-16)31-24(34)26(35,27(28,29)30)15-25(18-8-4-9-18)13-5-7-17-6-2-3-10-22(17)25/h2-3,6,10-12,14,18,35H,4-5,7-9,13,15H2,1H3,(H,31,34)
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n/an/a 9.5n/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))
BDBM50411048
PNG
(CHEMBL386448)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C3CC3)C(F)(F)F)cc12
Show InChI InChI=1S/C26H25F3N2O4/c1-15-20-13-18(10-11-19(20)22(32)35-31-15)30-23(33)25(34,26(27,28)29)14-24(17-8-9-17)12-4-6-16-5-2-3-7-21(16)24/h2-3,5,7,10-11,13,17,34H,4,6,8-9,12,14H2,1H3,(H,30,33)
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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))
BDBM50411045
PNG
(CHEMBL208840)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O4/c1-3-24(13-7-6-9-17-8-4-5-10-21(17)24)15-25(34,26(27,28)29)23(33)30-18-11-12-19-20(14-18)16(2)31-35-22(19)32/h4-5,8,10-12,14,34H,3,6-7,9,13,15H2,1-2H3,(H,30,33)
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n/an/a 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))
BDBM50411025
PNG
(CHEMBL379159)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C(C)(C)C)C(F)(F)F)cc12
Show InChI InChI=1S/C27H29F3N2O4/c1-16-20-14-18(11-12-19(20)22(33)36-32-16)31-23(34)26(35,27(28,29)30)15-25(24(2,3)4)13-7-9-17-8-5-6-10-21(17)25/h5-6,8,10-12,14,35H,7,9,13,15H2,1-4H3,(H,31,34)
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n/an/a 11n/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
Lck


(Mus musculus)
BDBM26180
PNG
(2,4-dianilino pyrimidine, 37 | 3-({4-[(5-methyl-1H...)
Show SMILES Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C19H17N7O/c1-11-5-6-15-14(10-22-26-15)17(11)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
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n/an/a 12n/an/an/an/an/an/a



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26145
PNG
(2,4-dianilino pyrimidine, 2 | 3-({4-[(5-hydroxy-2-...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O2/c1-11-5-6-14(24)10-15(11)22-16-7-8-20-18(23-16)21-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411042
PNG
(CHEMBL377176)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c3cccc4[N+]([O-])=O)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20F3N3O6/c1-12-18-10-14(8-9-17(18)20(30)35-28-12)27-21(31)22(32,23(24,25)26)11-13-4-2-6-16-15(13)5-3-7-19(16)29(33)34/h3,5,7-10,13,32H,2,4,6,11H2,1H3,(H,27,31)
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n/an/a 13n/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))
BDBM50411021
PNG
(CHEMBL212329)
Show SMILES COc1cccc2C(CC(O)(C(=O)Nc3ccc4c(c3)c(C)noc4=O)C(F)(F)F)CCCc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-19-11-15(9-10-18(19)21(30)34-29-13)28-22(31)23(32,24(25,26)27)12-14-5-3-7-17-16(14)6-4-8-20(17)33-2/h4,6,8-11,14,32H,3,5,7,12H2,1-2H3,(H,28,31)
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n/an/a 13n/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))
BDBM50411028
PNG
(CHEMBL377844)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4cc(F)ccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20F4N2O4/c1-12-19-10-16(6-8-18(19)20(30)33-29-12)28-21(31)22(32,23(25,26)27)11-14-4-2-3-13-9-15(24)5-7-17(13)14/h5-10,14,32H,2-4,11H2,1H3,(H,28,31)
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n/an/a 13n/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))
BDBM50411043
PNG
(CHEMBL212059)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)c3ccccc3)C(F)(F)F)cc12
Show InChI InChI=1S/C29H25F3N2O4/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/h2-6,8,10-14,16,37H,7,9,15,17H2,1H3,(H,33,36)
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n/an/a 14n/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))
BDBM50411044
PNG
(CHEMBL211854)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c(F)cccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20F4N2O4/c1-12-18-10-14(8-9-17(18)20(30)33-29-12)28-21(31)22(32,23(25,26)27)11-13-4-2-6-16-15(13)5-3-7-19(16)24/h3,5,7-10,13,32H,2,4,6,11H2,1H3,(H,28,31)
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n/an/a 16n/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))
BDBM50411051
PNG
(CHEMBL379158)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c(cccc34)C#N)C(F)(F)F)cc12
Show InChI InChI=1S/C24H20F3N3O4/c1-13-20-10-16(8-9-19(20)21(31)34-30-13)29-22(32)23(33,24(25,26)27)11-14-4-2-7-18-15(12-28)5-3-6-17(14)18/h3,5-6,8-10,14,33H,2,4,7,11H2,1H3,(H,29,32)
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n/an/a 16n/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))
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 16n/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))
BDBM50411031
PNG
(CHEMBL211331)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccc(F)cc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20F4N2O4/c1-12-18-10-16(7-8-17(18)20(30)33-29-12)28-21(31)22(32,23(25,26)27)11-14-4-2-3-13-5-6-15(24)9-19(13)14/h5-10,14,32H,2-4,11H2,1H3,(H,28,31)
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n/an/a 16n/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))
BDBM50411038
PNG
(CHEMBL214333)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCOc2ccccc12
Show InChI InChI=1S/C24H23F3N2O5/c1-3-22(10-11-33-19-7-5-4-6-18(19)22)13-23(32,24(25,26)27)21(31)28-15-8-9-16-17(12-15)14(2)29-34-20(16)30/h4-9,12,32H,3,10-11,13H2,1-2H3,(H,28,31)
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n/an/a 17n/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
Lck


(Mus musculus)
BDBM26186
PNG
(2,4-dianilino pyrimidine, 43 | 3-({4-[(5-methyl-1H...)
Show SMILES Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H17N7O2S/c1-11-5-6-15-14(10-21-25-15)17(11)23-16-7-8-20-18(24-16)22-12-3-2-4-13(9-12)28(19,26)27/h2-10H,1H3,(H,21,25)(H2,19,26,27)(H2,20,22,23,24)
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n/an/a 19n/an/an/an/an/an/a



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411034
PNG
(CHEMBL378785)
Show SMILES Cc1cccc2C(CC(O)(C(=O)Nc3ccc4c(c3)c(C)noc4=O)C(F)(F)F)CCCc12
Show InChI InChI=1S/C24H23F3N2O4/c1-13-5-3-8-18-15(6-4-7-17(13)18)12-23(32,24(25,26)27)22(31)28-16-9-10-19-20(11-16)14(2)29-33-21(19)30/h3,5,8-11,15,32H,4,6-7,12H2,1-2H3,(H,28,31)
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n/an/a 20n/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))
BDBM50411040
PNG
(CHEMBL209574)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccc(cc34)[N+]([O-])=O)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20F3N3O6/c1-12-18-9-15(6-8-17(18)20(30)35-28-12)27-21(31)22(32,23(24,25)26)11-14-4-2-3-13-5-7-16(29(33)34)10-19(13)14/h5-10,14,32H,2-4,11H2,1H3,(H,27,31)
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n/an/a 20n/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))
BDBM50411034
PNG
(CHEMBL378785)
Show SMILES Cc1cccc2C(CC(O)(C(=O)Nc3ccc4c(c3)c(C)noc4=O)C(F)(F)F)CCCc12
Show InChI InChI=1S/C24H23F3N2O4/c1-13-5-3-8-18-15(6-4-7-17(13)18)12-23(32,24(25,26)27)22(31)28-16-9-10-19-20(11-16)14(2)29-33-21(19)30/h3,5,8-11,15,32H,4,6-7,12H2,1-2H3,(H,28,31)
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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
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