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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50038039   
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))
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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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
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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0.820n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221149
PNG
(8a-(4-(pyridin-4-yl)benzyl)-2-(4-tert-butylphenyls...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)-c2ccncc2)C1 |t:17|
Show InChI InChI=1S/C31H34N2O3S/c1-30(2,3)26-8-10-29(11-9-26)37(35,36)33-19-15-27-20-28(34)12-16-31(27,22-33)21-23-4-6-24(7-5-23)25-13-17-32-18-14-25/h4-11,13-14,17-18,20H,12,15-16,19,21-22H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221153
PNG
((R)-8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulf...)
Show SMILES COc1ccc(C[C@]23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3/t27-/m0/s1
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4n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221173
PNG
((R)-8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CC[C@]2(Cc2ccccc2)C1 |t:17|
Show InChI InChI=1S/C26H31NO3S/c1-25(2,3)21-9-11-24(12-10-21)31(29,30)27-16-14-22-17-23(28)13-15-26(22,19-27)18-20-7-5-4-6-8-20/h4-12,17H,13-16,18-19H2,1-3H3/t26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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4n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221180
PNG
(8a-(4-fluorobenzyl)-2-(4-tert-butylphenylsulfonyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(F)cc2)C1 |t:17|
Show InChI InChI=1S/C26H30FNO3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221170
PNG
(8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulfonyl...)
Show SMILES COc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221156
PNG
(8a-(4-(piperidin-1-yl)benzyl)-2-(4-tert-butylpheny...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)N2CCCCC2)C1 |t:17|
Show InChI InChI=1S/C31H40N2O3S/c1-30(2,3)25-9-13-29(14-10-25)37(35,36)33-20-16-26-21-28(34)15-17-31(26,23-33)22-24-7-11-27(12-8-24)32-18-5-4-6-19-32/h7-14,21H,4-6,15-20,22-23H2,1-3H3
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9n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221188
PNG
(8a-(4-bromobenzyl)-2-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(Br)cc2)C1 |t:17|
Show InChI InChI=1S/C26H30BrNO3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18H2,1-3H3
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9n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221164
PNG
(8a-(4-morpholinobenzyl)-2-(4-tert-butylphenylsulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)N2CCOCC2)C1 |t:17|
Show InChI InChI=1S/C30H38N2O4S/c1-29(2,3)24-6-10-28(11-7-24)37(34,35)32-15-13-25-20-27(33)12-14-30(25,22-32)21-23-4-8-26(9-5-23)31-16-18-36-19-17-31/h4-11,20H,12-19,21-22H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221157
PNG
(CHEMBL247815 | N-(4-((2-(4-tert-butylphenylsulfony...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(NS(C)(=O)=O)cc2)C1 |t:17|
Show InChI InChI=1S/C27H34N2O5S2/c1-26(2,3)21-7-11-25(12-8-21)36(33,34)29-16-14-22-17-24(30)13-15-27(22,19-29)18-20-5-9-23(10-6-20)28-35(4,31)32/h5-12,17,28H,13-16,18-19H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221175
PNG
(2-[(4-tert-butylbenzene)sulfonyl]-8a-({4-[(dimethy...)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:17|
Show InChI InChI=1S/C28H37N3O5S2/c1-27(2,3)22-8-12-26(13-9-22)37(33,34)31-17-15-23-18-25(32)14-16-28(23,20-31)19-21-6-10-24(11-7-21)29-38(35,36)30(4)5/h6-13,18,29H,14-17,19-20H2,1-5H3
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13n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221158
PNG
(8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:17|
Show InChI InChI=1S/C26H31NO3S/c1-25(2,3)21-9-11-24(12-10-21)31(29,30)27-16-14-22-17-23(28)13-15-26(22,19-27)18-20-7-5-4-6-8-20/h4-12,17H,13-16,18-19H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221177
PNG
(8a-(4-(dimethylamino)benzyl)-2-(4-tert-butylphenyl...)
Show SMILES CN(C)c1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:13|
Show InChI InChI=1S/C28H36N2O3S/c1-27(2,3)22-8-12-26(13-9-22)34(32,33)30-17-15-23-18-25(31)14-16-28(23,20-30)19-21-6-10-24(11-7-21)29(4)5/h6-13,18H,14-17,19-20H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221176
PNG
(8a-(4-nitrobenzyl)-2-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)[N+]([O-])=O)C1 |t:17|
Show InChI InChI=1S/C26H30N2O5S/c1-25(2,3)20-6-10-24(11-7-20)34(32,33)27-15-13-21-16-23(29)12-14-26(21,18-27)17-19-4-8-22(9-5-19)28(30)31/h4-11,16H,12-15,17-18H2,1-3H3
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45n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221195
PNG
(8a-benzyl-2-(biphenyl-4-sulfonyl)-1,3,4,7,8,8a-hex...)
Show SMILES O=C1CCC2(Cc3ccccc3)CN(CCC2=C1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |c:18|
Show InChI InChI=1S/C28H27NO3S/c30-26-15-17-28(20-22-7-3-1-4-8-22)21-29(18-16-25(28)19-26)33(31,32)27-13-11-24(12-14-27)23-9-5-2-6-10-23/h1-14,19H,15-18,20-21H2
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55n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221179
PNG
(CHEMBL398668 | N-(4-((2-(4-tert-butylphenylsulfony...)
Show SMILES CC(=O)Nc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:14|
Show InChI InChI=1S/C28H34N2O4S/c1-20(31)29-24-9-5-21(6-10-24)18-28-15-13-25(32)17-23(28)14-16-30(19-28)35(33,34)26-11-7-22(8-12-26)27(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,29,31)
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56n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221152
PNG
(8a-benzyl-2-(4-morpholinophenylsulfonyl)-1,2,3,4,8...)
Show SMILES O=C1CCC2(Cc3ccccc3)CN(CCC2=C1)S(=O)(=O)c1ccc(cc1)N1CCOCC1 |c:18|
Show InChI InChI=1S/C26H30N2O4S/c29-24-10-12-26(19-21-4-2-1-3-5-21)20-28(13-11-22(26)18-24)33(30,31)25-8-6-23(7-9-25)27-14-16-32-17-15-27/h1-9,18H,10-17,19-20H2
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64n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221178
PNG
(4-((2-(4-tert-butylphenylsulfonyl)-6-oxo-1,2,3,4,6...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)C#N)C1 |t:17|
Show InChI InChI=1S/C27H30N2O3S/c1-26(2,3)22-8-10-25(11-9-22)33(31,32)29-15-13-23-16-24(30)12-14-27(23,19-29)17-20-4-6-21(18-28)7-5-20/h4-11,16H,12-15,17,19H2,1-3H3
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65n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221191
PNG
(8a-(3-methoxybenzyl)-2-(4-tert-butylphenylsulfonyl...)
Show SMILES COc1cccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)c1 |c:13|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-8-10-25(11-9-21)33(30,31)28-15-13-22-17-23(29)12-14-27(22,19-28)18-20-6-5-7-24(16-20)32-4/h5-11,16-17H,12-15,18-19H2,1-4H3
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76n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221165
PNG
(8a-benzyl-2-tosyl-1,2,3,4,8,8a-hexahydroisoquinoli...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:14|
Show InChI InChI=1S/C23H25NO3S/c1-18-7-9-22(10-8-18)28(26,27)24-14-12-20-15-21(25)11-13-23(20,17-24)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3
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99n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221154
PNG
(8a-(4-aminobenzyl)-2-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(N)cc2)C1 |t:17|
Show InChI InChI=1S/C26H32N2O3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18,27H2,1-3H3
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99n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221172
PNG
(8a-benzyl-2-(4-(dimethylamino)phenylsulfonyl)-1,2,...)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:16|
Show InChI InChI=1S/C24H28N2O3S/c1-25(2)21-8-10-23(11-9-21)30(28,29)26-15-13-20-16-22(27)12-14-24(20,18-26)17-19-6-4-3-5-7-19/h3-11,16H,12-15,17-18H2,1-2H3
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113n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221151
PNG
(8a-benzyl-2-(4-(methylsulfonyl)phenylsulfonyl)-1,2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:17|
Show InChI InChI=1S/C23H25NO5S2/c1-30(26,27)21-7-9-22(10-8-21)31(28,29)24-14-12-19-15-20(25)11-13-23(19,17-24)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3
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137n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221194
PNG
(8a-benzyl-2-(4-phenoxyphenylsulfonyl)-1,2,3,4,8,8a...)
Show SMILES O=C1CCC2(Cc3ccccc3)CN(CCC2=C1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |c:18|
Show InChI InChI=1S/C28H27NO4S/c30-24-15-17-28(20-22-7-3-1-4-8-22)21-29(18-16-23(28)19-24)34(31,32)27-13-11-26(12-14-27)33-25-9-5-2-6-10-25/h1-14,19H,15-18,20-21H2
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163n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221149
PNG
(8a-(4-(pyridin-4-yl)benzyl)-2-(4-tert-butylphenyls...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)-c2ccncc2)C1 |t:17|
Show InChI InChI=1S/C31H34N2O3S/c1-30(2,3)26-8-10-29(11-9-26)37(35,36)33-19-15-27-20-28(34)12-16-31(27,22-33)21-23-4-6-24(7-5-23)25-13-17-32-18-14-25/h4-11,13-14,17-18,20H,12,15-16,19,21-22H2,1-3H3
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180n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221166
PNG
(8a-benzyl-2-(4-chlorophenylsulfonyl)-1,2,3,4,8,8a-...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:14|
Show InChI InChI=1S/C22H22ClNO3S/c23-19-6-8-21(9-7-19)28(26,27)24-13-11-18-14-20(25)10-12-22(18,16-24)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2
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193n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221192
PNG
(8a-benzyl-2-(3-methoxyphenylsulfonyl)-1,2,3,4,8,8a...)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:15|
Show InChI InChI=1S/C23H25NO4S/c1-28-21-8-5-9-22(15-21)29(26,27)24-13-11-19-14-20(25)10-12-23(19,17-24)16-18-6-3-2-4-7-18/h2-9,14-15H,10-13,16-17H2,1H3
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196n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221153
PNG
((R)-8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulf...)
Show SMILES COc1ccc(C[C@]23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3/t27-/m0/s1
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200n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221188
PNG
(8a-(4-bromobenzyl)-2-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(Br)cc2)C1 |t:17|
Show InChI InChI=1S/C26H30BrNO3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18H2,1-3H3
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200n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221173
PNG
((R)-8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CC[C@]2(Cc2ccccc2)C1 |t:17|
Show InChI InChI=1S/C26H31NO3S/c1-25(2,3)21-9-11-24(12-10-21)31(29,30)27-16-14-22-17-23(28)13-15-26(22,19-27)18-20-7-5-4-6-8-20/h4-12,17H,13-16,18-19H2,1-3H3/t26-/m0/s1
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200n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221150
PNG
(8a-benzyl-2-(4-methoxyphenylsulfonyl)-1,2,3,4,8,8a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:15|
Show InChI InChI=1S/C23H25NO4S/c1-28-21-7-9-22(10-8-21)29(26,27)24-14-12-19-15-20(25)11-13-23(19,17-24)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3
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216n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221169
PNG
(8a-benzyl-2-(phenylsulfonyl)-1,2,3,4,8,8a-hexahydr...)
Show SMILES O=C1CCC2(Cc3ccccc3)CN(CCC2=C1)S(=O)(=O)c1ccccc1 |c:18|
Show InChI InChI=1S/C22H23NO3S/c24-20-11-13-22(16-18-7-3-1-4-8-18)17-23(14-12-19(22)15-20)27(25,26)21-9-5-2-6-10-21/h1-10,15H,11-14,16-17H2
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225n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221170
PNG
(8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulfonyl...)
Show SMILES COc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3
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230n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221175
PNG
(2-[(4-tert-butylbenzene)sulfonyl]-8a-({4-[(dimethy...)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:17|
Show InChI InChI=1S/C28H37N3O5S2/c1-27(2,3)22-8-12-26(13-9-22)37(33,34)31-17-15-23-18-25(32)14-16-28(23,20-31)19-21-6-10-24(11-7-21)29-38(35,36)30(4)5/h6-13,18,29H,14-17,19-20H2,1-5H3
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323n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221153
PNG
((R)-8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulf...)
Show SMILES COc1ccc(C[C@]23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3/t27-/m0/s1
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352n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221164
PNG
(8a-(4-morpholinobenzyl)-2-(4-tert-butylphenylsulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)N2CCOCC2)C1 |t:17|
Show InChI InChI=1S/C30H38N2O4S/c1-29(2,3)24-6-10-28(11-7-24)37(34,35)32-15-13-25-20-27(33)12-14-30(25,22-32)21-23-4-8-26(9-5-23)31-16-18-36-19-17-31/h4-11,20H,12-19,21-22H2,1-3H3
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400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221159
PNG
(8a-benzyl-2-(3-chlorophenylsulfonyl)-1,2,3,4,8,8a-...)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:14|
Show InChI InChI=1S/C22H22ClNO3S/c23-19-7-4-8-21(14-19)28(26,27)24-12-10-18-13-20(25)9-11-22(18,16-24)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2
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432n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221168
PNG
(CHEMBL247602 | N-(4-(8a-benzyl-6-oxo-3,4,6,7,8,8a-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:17|
Show InChI InChI=1S/C24H26N2O4S/c1-18(27)25-21-7-9-23(10-8-21)31(29,30)26-14-12-20-15-22(28)11-13-24(20,17-26)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,25,27)
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750n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221155
PNG
(8a-benzyl-2-(4-fluorophenylsulfonyl)-1,2,3,4,8,8a-...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:14|
Show InChI InChI=1S/C22H22FNO3S/c23-19-6-8-21(9-7-19)28(26,27)24-13-11-18-14-20(25)10-12-22(18,16-24)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2
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800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221160
PNG
(CHEMBL247421 | N-(4-(8a-benzyl-6-oxo-3,4,6,7,8,8a-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:18|
Show InChI InChI=1S/C23H26N2O5S2/c1-31(27,28)24-20-7-9-22(10-8-20)32(29,30)25-14-12-19-15-21(26)11-13-23(19,17-25)16-18-5-3-2-4-6-18/h2-10,15,24H,11-14,16-17H2,1H3
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950n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221179
PNG
(CHEMBL398668 | N-(4-((2-(4-tert-butylphenylsulfony...)
Show SMILES CC(=O)Nc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:14|
Show InChI InChI=1S/C28H34N2O4S/c1-20(31)29-24-9-5-21(6-10-24)18-28-15-13-25(32)17-23(28)14-16-30(19-28)35(33,34)26-11-7-22(8-12-26)27(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,29,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221157
PNG
(CHEMBL247815 | N-(4-((2-(4-tert-butylphenylsulfony...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(NS(C)(=O)=O)cc2)C1 |t:17|
Show InChI InChI=1S/C27H34N2O5S2/c1-26(2,3)21-7-11-25(12-8-21)36(33,34)29-16-14-22-17-24(30)13-15-27(22,19-29)18-20-5-9-23(10-6-20)28-35(4,31)32/h5-12,17,28H,13-16,18-19H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221189
PNG
(2-(8a-benzyl-6-oxo-3,4,6,7,8,8a-hexahydroisoquinol...)
Show SMILES O=C1CCC2(Cc3ccccc3)CN(CCC2=C1)S(=O)(=O)c1ccccc1C#N |c:18|
Show InChI InChI=1S/C23H22N2O3S/c24-16-19-8-4-5-9-22(19)29(27,28)25-13-11-20-14-21(26)10-12-23(20,17-25)15-18-6-2-1-3-7-18/h1-9,14H,10-13,15,17H2
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1.00E+3n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221180
PNG
(8a-(4-fluorobenzyl)-2-(4-tert-butylphenylsulfonyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(F)cc2)C1 |t:17|
Show InChI InChI=1S/C26H30FNO3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221156
PNG
(8a-(4-(piperidin-1-yl)benzyl)-2-(4-tert-butylpheny...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)N2CCCCC2)C1 |t:17|
Show InChI InChI=1S/C31H40N2O3S/c1-30(2,3)25-9-13-29(14-10-25)37(35,36)33-20-16-26-21-28(34)15-17-31(26,23-33)22-24-7-11-27(12-8-24)32-18-5-4-6-19-32/h7-14,21H,4-6,15-20,22-23H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
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