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Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'boudjelal' 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))
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))
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 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))
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))
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 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))
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))
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))
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
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
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 4.68n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha...


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))
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 5.01n/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))
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 5.25n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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 5.75n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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 6.17n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411484
PNG
(CHEMBL391942)
Show SMILES CCC1(CC(O)(Cc2[nH]c3ccccc3c2C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H25F3N2O/c1-2-23(13-7-9-17-8-3-5-11-20(17)23)16-24(31,25(26,27)28)14-22-19(15-29)18-10-4-6-12-21(18)30-22/h3-6,8,10-12,30-31H,2,7,9,13-14,16H2,1H3
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n/an/a 6.61n/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))
BDBM50411475
PNG
(CHEMBL237496)
Show SMILES CC1(CC(O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H24F3NO/c1-22(13-6-8-17-7-2-4-10-20(17)22)16-23(29,24(25,26)27)15-18-12-14-28-21-11-5-3-9-19(18)21/h2-5,7,9-12,14,29H,6,8,13,15-16H2,1H3
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n/an/a 7.08n/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))
BDBM50411484
PNG
(CHEMBL391942)
Show SMILES CCC1(CC(O)(Cc2[nH]c3ccccc3c2C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H25F3N2O/c1-2-23(13-7-9-17-8-3-5-11-20(17)23)16-24(31,25(26,27)28)14-22-19(15-29)18-10-4-6-12-21(18)30-22/h3-6,8,10-12,30-31H,2,7,9,13-14,16H2,1H3
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n/an/a 7.59n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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 8.13n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411490
PNG
(CHEMBL393819)
Show SMILES CCC1(CC(O)(Cn2ccc(=O)c3ccccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H26F3NO2/c1-2-23(14-7-9-18-8-3-5-11-20(18)23)16-24(31,25(26,27)28)17-29-15-13-22(30)19-10-4-6-12-21(19)29/h3-6,8,10-13,15,31H,2,7,9,14,16-17H2,1H3
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n/an/a 8.13n/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))
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 8.51n/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))
BDBM50411476
PNG
(CHEMBL391943)
Show SMILES CCC1(CC(O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C23H25F3N2O/c1-2-21(10-5-7-16-6-3-4-8-19(16)21)15-22(29,23(24,25)26)13-18-12-17-9-11-27-14-20(17)28-18/h3-4,6,8-9,11-12,14,28-29H,2,5,7,10,13,15H2,1H3
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n/an/a 8.91n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411476
PNG
(CHEMBL391943)
Show SMILES CCC1(CC(O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C23H25F3N2O/c1-2-21(10-5-7-16-6-3-4-8-19(16)21)15-22(29,23(24,25)26)13-18-12-17-9-11-27-14-20(17)28-18/h3-4,6,8-9,11-12,14,28-29H,2,5,7,10,13,15H2,1H3
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n/an/a 8.91n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411476
PNG
(CHEMBL391943)
Show SMILES CCC1(CC(O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C23H25F3N2O/c1-2-21(10-5-7-16-6-3-4-8-19(16)21)15-22(29,23(24,25)26)13-18-12-17-9-11-27-14-20(17)28-18/h3-4,6,8-9,11-12,14,28-29H,2,5,7,10,13,15H2,1H3
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n/an/a 8.91n/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))
BDBM50411476
PNG
(CHEMBL391943)
Show SMILES CCC1(CC(O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C23H25F3N2O/c1-2-21(10-5-7-16-6-3-4-8-19(16)21)15-22(29,23(24,25)26)13-18-12-17-9-11-27-14-20(17)28-18/h3-4,6,8-9,11-12,14,28-29H,2,5,7,10,13,15H2,1H3
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n/an/a 8.91n/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))
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 9.12n/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))
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 9.12n/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))
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 9.12n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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 9.12n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
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n/an/a 11.2n/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))
BDBM50411482
PNG
(CHEMBL393920)
Show SMILES CCC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H27F3N2O/c1-2-23(14-6-9-18-8-3-4-11-20(18)23)16-24(31,25(26,27)28)17-30-22-13-5-12-21-19(22)10-7-15-29-21/h3-5,7-8,10-13,15,30-31H,2,6,9,14,16-17H2,1H3
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n/an/a 11.2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
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n/an/a 11.2n/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))
BDBM50411482
PNG
(CHEMBL393920)
Show SMILES CCC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H27F3N2O/c1-2-23(14-6-9-18-8-3-4-11-20(18)23)16-24(31,25(26,27)28)17-30-22-13-5-12-21-19(22)10-7-15-29-21/h3-5,7-8,10-13,15,30-31H,2,6,9,14,16-17H2,1H3
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n/an/a 12.3n/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))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
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n/an/a 14.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411490
PNG
(CHEMBL393819)
Show SMILES CCC1(CC(O)(Cn2ccc(=O)c3ccccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H26F3NO2/c1-2-23(14-7-9-18-8-3-5-11-20(18)23)16-24(31,25(26,27)28)17-29-15-13-22(30)19-10-4-6-12-21(19)29/h3-6,8,10-13,15,31H,2,7,9,14,16-17H2,1H3
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n/an/a 14.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
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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n/an/a 15.1n/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))
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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n/an/a 15.1n/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 17.4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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 18.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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 18.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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 18.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411483
PNG
(CHEMBL235799)
Show SMILES CC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C23H24F3NO/c1-21(12-6-9-16-7-2-4-10-19(16)21)15-22(28,23(24,25)26)14-18-13-17-8-3-5-11-20(17)27-18/h2-5,7-8,10-11,13,27-28H,6,9,12,14-15H2,1H3
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n/an/a 22.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411475
PNG
(CHEMBL237496)
Show SMILES CC1(CC(O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H24F3NO/c1-22(13-6-8-17-7-2-4-10-20(17)22)16-23(29,24(25,26)27)15-18-12-14-28-21-11-5-3-9-19(18)21/h2-5,7,9-12,14,29H,6,8,13,15-16H2,1H3
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n/an/a 24.0n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411475
PNG
(CHEMBL237496)
Show SMILES CC1(CC(O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H24F3NO/c1-22(13-6-8-17-7-2-4-10-20(17)22)16-23(29,24(25,26)27)15-18-12-14-28-21-11-5-3-9-19(18)21/h2-5,7,9-12,14,29H,6,8,13,15-16H2,1H3
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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))
BDBM50411491
PNG
(CHEMBL236853)
Show SMILES CCC1(CC(O)(Cc2cc(Cl)nc3ccccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C25H25ClF3NO/c1-2-23(13-7-9-17-8-3-5-11-20(17)23)16-24(31,25(27,28)29)15-18-14-22(26)30-21-12-6-4-10-19(18)21/h3-6,8,10-12,14,31H,2,7,9,13,15-16H2,1H3
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n/an/a 28.2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


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
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