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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'ahlgren' and Initial = 'r'   
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


(RAT)
BDBM50014432
PNG
(CHEMBL3261407)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in rat PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014432
PNG
(CHEMBL3261407)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014546
PNG
(CHEMBL3261410)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014546
PNG
(CHEMBL3261410)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014539
PNG
(CHEMBL3261412)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccnc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H27N5O2S/c1-16-11-17(2)24(18(3)12-16)32(30,31)28-19(4)13-26-22-8-5-9-23-21(22)15-27-29(23)20-7-6-10-25-14-20/h5-12,14-15,19,26,28H,13H2,1-4H3/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014444
PNG
(CHEMBL3261416)
Show SMILES CC(C)[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C27H31FN4O2S/c1-17(2)25(31-35(33,34)27-19(4)13-18(3)14-20(27)5)16-29-24-7-6-8-26-23(24)15-30-32(26)22-11-9-21(28)10-12-22/h6-15,17,25,29,31H,16H2,1-5H3/t25-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014440
PNG
(CHEMBL3261408)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H26FN5O2S/c1-15-10-16(2)24(17(3)11-15)33(31,32)29-18(4)12-26-21-6-5-7-22-20(21)14-28-30(22)19-8-9-23(25)27-13-19/h5-11,13-14,18,26,29H,12H2,1-4H3/t18-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014440
PNG
(CHEMBL3261408)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H26FN5O2S/c1-15-10-16(2)24(17(3)11-15)33(31,32)29-18(4)12-26-21-6-5-7-22-20(21)14-28-30(22)19-8-9-23(25)27-13-19/h5-11,13-14,18,26,29H,12H2,1-4H3/t18-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014539
PNG
(CHEMBL3261412)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccnc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H27N5O2S/c1-16-11-17(2)24(18(3)12-16)32(30,31)28-19(4)13-26-22-8-5-9-23-21(22)15-27-29(23)20-7-6-10-25-14-20/h5-12,14-15,19,26,28H,13H2,1-4H3/t19-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014433
PNG
(CHEMBL3261425)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25)3)19-7-4-5-8-19)13-27-22-9-6-10-23-21(22)15-29-33(23)20-11-12-24(26)28-14-20/h6,9-12,14-16,19,27,31H,4-5,7-8,13H2,1-3H3/t16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014545
PNG
(CHEMBL3261413)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27ClN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014546
PNG
(CHEMBL3261410)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014545
PNG
(CHEMBL3261413)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27ClN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014543
PNG
(CHEMBL3261424)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C26H31FN6O2S/c1-17(31-36(34,35)26-18(2)30-32(19(26)3)21-7-4-5-8-21)15-28-24-9-6-10-25-23(24)16-29-33(25)22-13-11-20(27)12-14-22/h6,9-14,16-17,21,28,31H,4-5,7-8,15H2,1-3H3/t17-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014541
PNG
(CHEMBL3261409)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H30N4O2S/c1-17-8-6-9-22(14-17)30-25-11-7-10-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)12-18(2)13-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014431
PNG
(CHEMBL3261423)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(COc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H23F4N3O3S/c1-15-11-16(2)24(17(3)12-15)36(33,34)31-23(25(27,28)29)14-35-22-6-4-5-21-20(22)13-30-32(21)19-9-7-18(26)8-10-19/h4-13,23,31H,14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014536
PNG
(CHEMBL3261415)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H30N4O2S/c1-17-9-11-22(12-10-17)30-25-8-6-7-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)13-18(2)14-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014442
PNG
(CHEMBL3261417)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27FN4O2S/c1-16-11-17(2)25(18(3)12-16)33(31,32)29-19(4)14-27-23-9-6-10-24-22(23)15-28-30(24)21-8-5-7-20(26)13-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014441
PNG
(CHEMBL3261414)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H29FN4O2S/c1-16-11-18(3)26(19(4)12-16)34(32,33)30-20(5)14-28-24-7-6-8-25-22(24)15-29-31(25)21-9-10-23(27)17(2)13-21/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014536
PNG
(CHEMBL3261415)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H30N4O2S/c1-17-9-11-22(12-10-17)30-25-8-6-7-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)13-18(2)14-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50014433
PNG
(CHEMBL3261425)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25)3)19-7-4-5-8-19)13-27-22-9-6-10-23-21(22)15-29-33(23)20-11-12-24(26)28-14-20/h6,9-12,14-16,19,27,31H,4-5,7-8,13H2,1-3H3/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in rat PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014439
PNG
(CHEMBL3261420)
Show SMILES C[C@@H](CCc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H28FN3O2S/c1-17-14-18(2)26(19(3)15-17)33(31,32)29-20(4)8-9-21-6-5-7-25-24(21)16-28-30(25)23-12-10-22(27)11-13-23/h5-7,10-16,20,29H,8-9H2,1-4H3/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014434
PNG
(CHEMBL3261427)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C27H31N7O2S/c1-18(32-37(35,36)27-19(2)31-33(20(27)3)22-7-4-5-8-22)16-29-25-9-6-10-26-24(25)17-30-34(26)23-13-11-21(15-28)12-14-23/h6,9-14,17-18,22,29,32H,4-5,7-8,16H2,1-3H3/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014432
PNG
(CHEMBL3261407)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014531
PNG
(CHEMBL3261406)
Show SMILES C[C@@H](COc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H26FN3O3S/c1-16-12-17(2)25(18(3)13-16)33(30,31)28-19(4)15-32-24-7-5-6-23-22(24)14-27-29(23)21-10-8-20(26)9-11-21/h5-14,19,28H,15H2,1-4H3/t19-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014537
PNG
(CHEMBL3261411)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cncnc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H26N6O2S/c1-15-8-16(2)23(17(3)9-15)32(30,31)28-18(4)10-26-21-6-5-7-22-20(21)13-27-29(22)19-11-24-14-25-12-19/h5-9,11-14,18,26,28H,10H2,1-4H3/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014538
PNG
(CHEMBL3261419)
Show SMILES COc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cccc12
Show InChI InChI=1S/C26H30N4O3S/c1-17-13-18(2)26(19(3)14-17)34(31,32)29-20(4)15-27-24-7-6-8-25-23(24)16-28-30(25)21-9-11-22(33-5)12-10-21/h6-14,16,20,27,29H,15H2,1-5H3/t20-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014539
PNG
(CHEMBL3261412)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccnc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H27N5O2S/c1-16-11-17(2)24(18(3)12-16)32(30,31)28-19(4)13-26-22-8-5-9-23-21(22)15-27-29(23)20-7-6-10-25-14-20/h5-12,14-15,19,26,28H,13H2,1-4H3/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014447
PNG
(CHEMBL3261428)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cncnc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C24H30N8O2S/c1-16(30-35(33,34)24-17(2)29-31(18(24)3)19-7-4-5-8-19)11-27-22-9-6-10-23-21(22)14-28-32(23)20-12-25-15-26-13-20/h6,9-10,12-16,19,27,30H,4-5,7-8,11H2,1-3H3/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014442
PNG
(CHEMBL3261417)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27FN4O2S/c1-16-11-17(2)25(18(3)12-16)33(31,32)29-19(4)14-27-23-9-6-10-24-22(23)15-28-30(24)21-8-5-7-20(26)13-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014541
PNG
(CHEMBL3261409)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H30N4O2S/c1-17-8-6-9-22(14-17)30-25-11-7-10-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)12-18(2)13-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014537
PNG
(CHEMBL3261411)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cncnc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H26N6O2S/c1-15-8-16(2)23(17(3)9-15)32(30,31)28-18(4)10-26-21-6-5-7-22-20(21)13-27-29(22)19-11-24-14-25-12-19/h5-9,11-14,18,26,28H,10H2,1-4H3/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014445
PNG
(CHEMBL3261418)
Show SMILES COc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cccc12
Show InChI InChI=1S/C26H30N4O3S/c1-17-12-18(2)26(19(3)13-17)34(31,32)29-20(4)15-27-24-10-7-11-25-23(24)16-28-30(25)21-8-6-9-22(14-21)33-5/h6-14,16,20,27,29H,15H2,1-5H3/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014433
PNG
(CHEMBL3261425)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25)3)19-7-4-5-8-19)13-27-22-9-6-10-23-21(22)15-29-33(23)20-11-12-24(26)28-14-20/h6,9-12,14-16,19,27,31H,4-5,7-8,13H2,1-3H3/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014542
PNG
(CHEMBL3261421)
Show SMILES CC(CSc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H26FN3O2S2/c1-16-12-17(2)25(18(3)13-16)33(30,31)28-19(4)15-32-24-7-5-6-23-22(24)14-27-29(23)21-10-8-20(26)9-11-21/h5-14,19,28H,15H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014537
PNG
(CHEMBL3261411)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cncnc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H26N6O2S/c1-15-8-16(2)23(17(3)9-15)32(30,31)28-18(4)10-26-21-6-5-7-22-20(21)13-27-29(22)19-11-24-14-25-12-19/h5-9,11-14,18,26,28H,10H2,1-4H3/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014541
PNG
(CHEMBL3261409)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H30N4O2S/c1-17-8-6-9-22(14-17)30-25-11-7-10-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)12-18(2)13-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014543
PNG
(CHEMBL3261424)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C26H31FN6O2S/c1-17(31-36(34,35)26-18(2)30-32(19(26)3)21-7-4-5-8-21)15-28-24-9-6-10-25-23(24)16-29-33(25)22-13-11-20(27)12-14-22/h6,9-14,16-17,21,28,31H,4-5,7-8,15H2,1-3H3/t17-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014536
PNG
(CHEMBL3261415)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H30N4O2S/c1-17-9-11-22(12-10-17)30-25-8-6-7-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)13-18(2)14-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014544
PNG
(CHEMBL3261426)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(OC(F)(F)F)cc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C27H31F3N6O3S/c1-17(34-40(37,38)26-18(2)33-35(19(26)3)20-7-4-5-8-20)15-31-24-9-6-10-25-23(24)16-32-36(25)21-11-13-22(14-12-21)39-27(28,29)30/h6,9-14,16-17,20,31,34H,4-5,7-8,15H2,1-3H3/t17-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014444
PNG
(CHEMBL3261416)
Show SMILES CC(C)[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C27H31FN4O2S/c1-17(2)25(31-35(33,34)27-19(4)13-18(3)14-20(27)5)16-29-24-7-6-8-26-23(24)15-30-32(26)22-11-9-21(28)10-12-22/h6-15,17,25,29,31H,16H2,1-5H3/t25-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014439
PNG
(CHEMBL3261420)
Show SMILES C[C@@H](CCc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H28FN3O2S/c1-17-14-18(2)26(19(3)15-17)33(31,32)29-20(4)8-9-21-6-5-7-25-24(21)16-28-30(25)23-12-10-22(27)11-13-23/h5-7,10-16,20,29H,8-9H2,1-4H3/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014434
PNG
(CHEMBL3261427)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C27H31N7O2S/c1-18(32-37(35,36)27-19(2)31-33(20(27)3)22-7-4-5-8-22)16-29-25-9-6-10-26-24(25)17-30-34(26)23-13-11-21(15-28)12-14-23/h6,9-14,17-18,22,29,32H,4-5,7-8,16H2,1-3H3/t18-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014545
PNG
(CHEMBL3261413)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27ClN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014441
PNG
(CHEMBL3261414)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H29FN4O2S/c1-16-11-18(3)26(19(4)12-16)34(32,33)30-20(5)14-28-24-7-6-8-25-22(24)15-29-31(25)21-9-10-23(27)17(2)13-21/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014431
PNG
(CHEMBL3261423)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(COc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H23F4N3O3S/c1-15-11-16(2)24(17(3)12-15)36(33,34)31-23(25(27,28)29)14-35-22-6-4-5-21-20(22)13-30-32(21)19-9-7-18(26)8-10-19/h4-13,23,31H,14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014433
PNG
(CHEMBL3261425)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25)3)19-7-4-5-8-19)13-27-22-9-6-10-23-21(22)15-29-33(23)20-11-12-24(26)28-14-20/h6,9-12,14-16,19,27,31H,4-5,7-8,13H2,1-3H3/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014432
PNG
(CHEMBL3261407)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014434
PNG
(CHEMBL3261427)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C27H31N7O2S/c1-18(32-37(35,36)27-19(2)31-33(20(27)3)22-7-4-5-8-22)16-29-25-9-6-10-26-24(25)17-30-34(26)23-13-11-21(15-28)12-14-23/h6,9-14,17-18,22,29,32H,4-5,7-8,16H2,1-3H3/t18-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014435
PNG
(CHEMBL3261167)
Show SMILES C[C@@H](COc1cccc2cnccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H24N2O3S/c1-14-10-15(2)21(16(3)11-14)27(24,25)23-17(4)13-26-20-7-5-6-18-12-22-9-8-19(18)20/h5-12,17,23H,13H2,1-4H3/t17-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
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