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PubMed code 24755427

Compile data set for download or QSAR
Found 107 hits of Enzyme Inhibition Constant Data   
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))
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))
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 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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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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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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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
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))
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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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
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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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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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


(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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n/an/a 4.5n/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))
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 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))
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))
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))
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))
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 12n/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))
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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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))
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))
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))
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))
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))
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 14n/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
3D
3D Structure (crystal)
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))
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))
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014436
PNG
(CHEMBL3261174)
Show SMILES C[C@@H](CNc1ccc(C)c2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C22H27N3O2S/c1-14-11-16(3)22(17(4)12-14)28(26,27)25-18(5)13-24-20-9-8-15(2)21-19(20)7-6-10-23-21/h6-12,18,24-25H,13H2,1-5H3/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))
BDBM50014437
PNG
(CHEMBL3261169)
Show SMILES C[C@@H](COc1cccc2[nH]ccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O3S/c1-13-10-14(2)20(15(3)11-13)26(23,24)22-16(4)12-25-19-7-5-6-18-17(19)8-9-21-18/h5-11,16,21-22H,12H2,1-4H3/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))
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 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))
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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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 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))
BDBM50014438
PNG
(CHEMBL3261429)
Show SMILES COc1ncc(cn1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)nn(C4CCCC4)c3C)cccc12
Show InChI InChI=1S/C25H32N8O3S/c1-16(31-37(34,35)24-17(2)30-32(18(24)3)19-8-5-6-9-19)12-26-22-10-7-11-23-21(22)15-29-33(23)20-13-27-25(36-4)28-14-20/h7,10-11,13-16,19,26,31H,5-6,8-9,12H2,1-4H3/t16-/m0/s1
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n/an/a 23n/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 28n/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))
BDBM50014443
PNG
(CHEMBL3261404)
Show SMILES C[C@@H](COc1cccc2cnccc12)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1S/C22H28N4O3S/c1-15(14-29-21-10-6-7-18-13-23-12-11-20(18)21)25-30(27,28)22-16(2)24-26(17(22)3)19-8-4-5-9-19/h6-7,10-13,15,19,25H,4-5,8-9,14H2,1-3H3/t15-/m0/s1
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n/an/a 32n/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))
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 35n/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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n/an/a 36n/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))
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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n/an/a 41n/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))
BDBM50014446
PNG
(CHEMBL3261170)
Show SMILES C[C@@H](CNc1cccc2[nH]ncc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H24N4O2S/c1-12-8-13(2)19(14(3)9-12)26(24,25)23-15(4)10-20-17-6-5-7-18-16(17)11-21-22-18/h5-9,11,15,20,23H,10H2,1-4H3,(H,21,22)/t15-/m0/s1
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n/an/a 42n/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))
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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n/an/a 43n/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))
BDBM50014529
PNG
(CHEMBL3261165)
Show SMILES C[C@@H](CCc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H25NO2S/c1-14-12-15(2)19(16(3)13-14)23(21,22)20-17(4)10-11-18-8-6-5-7-9-18/h5-9,12-13,17,20H,10-11H2,1-4H3/t17-/m0/s1
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n/an/a 55n/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))
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 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))
BDBM50014532
PNG
(CHEMBL3261171)
Show SMILES C[C@@H](CNc1cccc2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H25N3O2S/c1-14-11-15(2)21(16(3)12-14)27(25,26)24-17(4)13-23-20-9-5-8-19-18(20)7-6-10-22-19/h5-12,17,23-24H,13H2,1-4H3/t17-/m0/s1
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n/an/a 75n/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))
BDBM50014534
PNG
(CHEMBL3261177)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl3N2O3S/c1-11(10-26-17-6-2-5-16-13(17)4-3-7-22-16)23-27(24,25)18-14(20)8-12(19)9-15(18)21/h2-9,11,23H,10H2,1H3/t11-/m0/s1
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n/an/a 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))
BDBM50014535
PNG
(CHEMBL3261166)
Show SMILES C[C@@H](COc1c(C)cccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H27NO3S/c1-13-10-16(4)20(17(5)11-13)25(22,23)21-18(6)12-24-19-14(2)8-7-9-15(19)3/h7-11,18,21H,12H2,1-6H3/t18-/m0/s1
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n/an/a 85n/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))
BDBM50014418
PNG
(CHEMBL3261405)
Show SMILES C[C@@H](COc1cccc2cnccc12)NS(=O)(=O)c1c(C)nn(c1C)-c1ccccc1
Show InChI InChI=1S/C23H24N4O3S/c1-16(15-30-22-11-7-8-19-14-24-13-12-21(19)22)26-31(28,29)23-17(2)25-27(18(23)3)20-9-5-4-6-10-20/h4-14,16,26H,15H2,1-3H3/t16-/m0/s1
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n/an/a 97n/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))
BDBM50014419
PNG
(CHEMBL3261175)
Show SMILES C[C@@H](CNc1cccc2nc(C)ccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C22H27N3O2S/c1-14-11-15(2)22(16(3)12-14)28(26,27)25-18(5)13-23-20-7-6-8-21-19(20)10-9-17(4)24-21/h6-12,18,23,25H,13H2,1-5H3/t18-/m0/s1
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n/an/a 160n/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))
BDBM50014420
PNG
(CHEMBL3261398)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1c(C)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H18Cl2N2O3S/c1-12-9-14(20)10-16(21)19(12)27(24,25)23-13(2)11-26-18-7-3-6-17-15(18)5-4-8-22-17/h3-10,13,23H,11H2,1-2H3/t13-/m0/s1
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n/an/a 220n/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))
BDBM50014421
PNG
(CHEMBL3261168)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H24N2O3S/c1-14-11-15(2)21(16(3)12-14)27(24,25)23-17(4)13-26-20-9-5-8-19-18(20)7-6-10-22-19/h5-12,17,23H,13H2,1-4H3/t17-/m0/s1
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n/an/a 240n/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))
BDBM50014422
PNG
(CHEMBL3261403)
Show SMILES C[C@@H](COc1cccc2cnccc12)NS(=O)(=O)c1ccc(C)cc1C
Show InChI InChI=1S/C20H22N2O3S/c1-14-7-8-20(15(2)11-14)26(23,24)22-16(3)13-25-19-6-4-5-17-12-21-10-9-18(17)19/h4-12,16,22H,13H2,1-3H3/t16-/m0/s1
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n/an/a 410n/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))
BDBM50014446
PNG
(CHEMBL3261170)
Show SMILES C[C@@H](CNc1cccc2[nH]ncc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H24N4O2S/c1-12-8-13(2)19(14(3)9-12)26(24,25)23-15(4)10-20-17-6-5-7-18-16(17)11-21-22-18/h5-9,11,15,20,23H,10H2,1-4H3,(H,21,22)/t15-/m0/s1
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n/an/a 760n/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
Progesterone 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 770n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin)


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))
BDBM50014423
PNG
(CHEMBL3261422)
Show SMILES CC(CS(=O)(=O)c1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H26FN3O4S2/c1-16-12-17(2)25(18(3)13-16)35(32,33)28-19(4)15-34(30,31)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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n/an/a 795n/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))
BDBM50014421
PNG
(CHEMBL3261168)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H24N2O3S/c1-14-11-15(2)21(16(3)12-14)27(24,25)23-17(4)13-26-20-9-5-8-19-18(20)7-6-10-22-19/h5-12,17,23H,13H2,1-4H3/t17-/m0/s1
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n/an/a 960n/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
Mineralocorticoid receptor (MR)


(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>1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin)


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
Androgen 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
Binding affinity to androgen receptor (unknown origin)


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
Androgen 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 androgen receptor (unknown origin)


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))
BDBM50014436
PNG
(CHEMBL3261174)
Show SMILES C[C@@H](CNc1ccc(C)c2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C22H27N3O2S/c1-14-11-16(3)22(17(4)12-14)28(26,27)25-18(5)13-24-20-9-8-15(2)21-19(20)7-6-10-23-21/h6-12,18,24-25H,13H2,1-5H3/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))
BDBM50014424
PNG
(CHEMBL3261176)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccc(C)cc1C
Show InChI InChI=1S/C20H22N2O3S/c1-14-9-10-20(15(2)12-14)26(23,24)22-16(3)13-25-19-8-4-7-18-17(19)6-5-11-21-18/h4-12,16,22H,13H2,1-3H3/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))
BDBM50014425
PNG
(CHEMBL3261400)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C19H17N3O3S/c1-14(22-26(23,24)16-6-2-5-15(11-16)12-20)13-25-19-9-3-8-18-17(19)7-4-10-21-18/h2-11,14,22H,13H2,1H3/t14-/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))
BDBM50014532
PNG
(CHEMBL3261171)
Show SMILES C[C@@H](CNc1cccc2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H25N3O2S/c1-14-11-15(2)21(16(3)12-14)27(25,26)24-17(4)13-23-20-9-5-8-19-18(20)7-6-10-22-19/h5-12,17,23-24H,13H2,1-4H3/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))
BDBM50014419
PNG
(CHEMBL3261175)
Show SMILES C[C@@H](CNc1cccc2nc(C)ccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C22H27N3O2S/c1-14-11-15(2)22(16(3)12-14)28(26,27)25-18(5)13-23-20-7-6-8-21-19(20)10-9-17(4)24-21/h6-12,18,23,25H,13H2,1-5H3/t18-/m0/s1
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n/an/a 2.20E+3n/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))
BDBM50014534
PNG
(CHEMBL3261177)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl3N2O3S/c1-11(10-26-17-6-2-5-16-13(17)4-3-7-22-16)23-27(24,25)18-14(20)8-12(19)9-15(18)21/h2-9,11,23H,10H2,1H3/t11-/m0/s1
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n/an/a 2.40E+3n/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
Progesterone 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 4.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin)


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
Estradiol receptor beta (ERβ)


(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 ER-beta (unknown origin)


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
Estrogen 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 ER-alpha (unknown origin)


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
Estrogen 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
Binding affinity to ER-alpha (unknown origin)


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
Estradiol receptor beta (ERβ)


(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
Binding affinity to ER-beta (unknown origin)


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
Mineralocorticoid receptor (MR)


(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
Binding affinity to mineralocorticoid receptor (unknown origin)


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
Cytochrome P450 2C9


(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 7.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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))
BDBM50014426
PNG
(CHEMBL3261172)
Show SMILES C[C@@H](CNc1ccc2ncccc2c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H25N3O2S/c1-14-10-15(2)21(16(3)11-14)27(25,26)24-17(4)13-23-19-7-8-20-18(12-19)6-5-9-22-20/h5-12,17,23-24H,13H2,1-4H3/t17-/m0/s1
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n/an/a 1.00E+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))
BDBM50014428
PNG
(CHEMBL3261399)
Show SMILES COc1ccccc1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12
Show InChI InChI=1S/C19H20N2O4S/c1-14(21-26(22,23)19-11-4-3-9-18(19)24-2)13-25-17-10-5-8-16-15(17)7-6-12-20-16/h3-12,14,21H,13H2,1-2H3/t14-/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))
BDBM50014427
PNG
(CHEMBL3261173)
Show SMILES C[C@@H](CNc1ccc2cnccc2c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H25N3O2S/c1-14-9-15(2)21(16(3)10-14)27(25,26)24-17(4)12-23-20-6-5-19-13-22-8-7-18(19)11-20/h5-11,13,17,23-24H,12H2,1-4H3/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))
BDBM50014429
PNG
(CHEMBL3261401)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C19H17N3O3S/c1-14(22-26(23,24)19-10-3-2-6-15(19)12-20)13-25-18-9-4-8-17-16(18)7-5-11-21-17/h2-11,14,22H,13H2,1H3/t14-/m0/s1
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n/an/a>1.00E+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))
BDBM50014430
PNG
(CHEMBL3261402)
Show SMILES C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O3S/c1-14(20-24(21,22)15-7-3-2-4-8-15)13-23-18-11-5-10-17-16(18)9-6-12-19-17/h2-12,14,20H,13H2,1H3/t14-/m0/s1
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n/an/a>1.00E+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
Cytochrome P450 3A


(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 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


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
Cytochrome P450 2C9


(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 1.70E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C19


(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
Inhibition of CYP2C19 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(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
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 1A


(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
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 1A


(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
Inhibition of CYP1A2 (unknown origin)


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
Cytochrome P450 2C19


(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
Inhibition of CYP2C19 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(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
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 3A


(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 2.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


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
* indicates data uncertainty>20%