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PubMed code 28506584

Compile data set for download or QSAR
Found 29 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 receptor


(Homo sapiens (Human))		BDBM50252879
PNG
(CHEMBL4093329)
Show SMILES O=S(=O)(N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N2O3S/c27-19-21-11-17-26(18-12-21)32(29,30)28(20-22-7-3-1-4-8-22)23-13-15-25(16-14-23)31-24-9-5-2-6-10-24/h1-18H,20H2
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n/an/a 1.43E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203181
PNG
(CHEMBL3957844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H23NO4S/c1-30-23-16-18-26(19-17-23)32(28,29)27(20-21-8-4-2-5-9-21)22-12-14-25(15-13-22)31-24-10-6-3-7-11-24/h2-19H,20H2,1H3
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n/an/a 1.87E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252911
PNG
(CHEMBL4077728)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O4S/c1-21(30)28-23-12-18-27(19-13-23)34(31,32)29(20-22-8-4-2-5-9-22)24-14-16-26(17-15-24)33-25-10-6-3-7-11-25/h2-19H,20H2,1H3,(H,28,30)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252881
PNG
(CHEMBL4097564)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H23NO3S/c1-21-12-18-26(19-13-21)31(28,29)27(20-22-8-4-2-5-9-22)23-14-16-25(17-15-23)30-24-10-6-3-7-11-24/h2-19H,20H2,1H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252882
PNG
(CHEMBL4105267)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20FNO3S/c26-21-11-17-25(18-12-21)31(28,29)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)30-23-9-5-2-6-10-23/h1-18H,19H2
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n/an/a 2.04E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252912
PNG
(CHEMBL4101996)
Show SMILES COC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O5S/c1-33-27(30)28-22-12-18-26(19-13-22)35(31,32)29(20-21-8-4-2-5-9-21)23-14-16-25(17-15-23)34-24-10-6-3-7-11-24/h2-19H,20H2,1H3,(H,28,30)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203155
PNG
(CHEMBL3940435)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20ClNO3S/c26-21-11-17-25(18-12-21)31(28,29)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)30-23-9-5-2-6-10-23/h1-18H,19H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252930
PNG
(CHEMBL4075837)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O3S/c26-21-11-17-25(18-12-21)31(28,29)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)30-23-9-5-2-6-10-23/h1-18H,19,26H2
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n/an/a 3.15E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252880
PNG
(CHEMBL4075236)
Show SMILES O=S(=O)(N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C25H21NO3S/c27-30(28,25-14-8-3-9-15-25)26(20-21-10-4-1-5-11-21)22-16-18-24(19-17-22)29-23-12-6-2-7-13-23/h1-19H,20H2
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n/an/a 3.59E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252931
PNG
(CHEMBL4094264)
Show SMILES Clc1cccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C26H19ClN2O3S/c27-22-6-4-5-21(17-22)19-29(33(30,31)26-15-9-20(18-28)10-16-26)23-11-13-25(14-12-23)32-24-7-2-1-3-8-24/h1-17H,19H2
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n/an/a 5.42E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252929
PNG
(CHEMBL4086436)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20N2O5S/c28-27(29)22-13-17-25(18-14-22)33(30,31)26(19-20-7-3-1-4-8-20)21-11-15-24(16-12-21)32-23-9-5-2-6-10-23/h1-18H,19H2
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n/an/a 5.77E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252884
PNG
(CHEMBL4078581)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H20F3NO4S/c27-26(28,29)34-24-15-17-25(18-16-24)35(31,32)30(19-20-7-3-1-4-8-20)21-11-13-23(14-12-21)33-22-9-5-2-6-10-22/h1-18H,19H2
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n/an/a 7.48E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252868
PNG
(CHEMBL4081430)
Show SMILES Brc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H19BrN2O3S/c27-22-10-6-21(7-11-22)19-29(33(30,31)26-16-8-20(18-28)9-17-26)23-12-14-25(15-13-23)32-24-4-2-1-3-5-24/h1-17H,19H2
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n/an/a 7.87E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50252879
PNG
(CHEMBL4093329)
Show SMILES O=S(=O)(N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N2O3S/c27-19-21-11-17-26(18-12-21)32(29,30)28(20-22-7-3-1-4-8-22)23-13-15-25(16-14-23)31-24-9-5-2-6-10-24/h1-18H,20H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced response after 24 hrs by alkaline phosphatase assay

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203153
PNG
(CHEMBL3927163)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-8-18(13-14)27(24,25)23-15-9-11-17(12-10-15)26-16-6-2-1-3-7-16/h1-13,23H
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n/an/a 1.17E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252932
PNG
(CHEMBL4069804)
Show SMILES O=S(=O)(N(CCCc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H24N2O3S/c29-22-24-13-19-28(20-14-24)34(31,32)30(21-7-10-23-8-3-1-4-9-23)25-15-17-27(18-16-25)33-26-11-5-2-6-12-26/h1-6,8-9,11-20H,7,10,21H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252869
PNG
(CHEMBL4070835)
Show SMILES Cc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H22N2O3S/c1-21-7-9-23(10-8-21)20-29(33(30,31)27-17-11-22(19-28)12-18-27)24-13-15-26(16-14-24)32-25-5-3-2-4-6-25/h2-18H,20H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252872
PNG
(CHEMBL4061130)
Show SMILES O=S(=O)(N(Cc1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H22N2O3S/c31-21-23-11-18-30(19-12-23)36(33,34)32(22-24-10-13-25-6-4-5-7-26(25)20-24)27-14-16-29(17-15-27)35-28-8-2-1-3-9-28/h1-20H,22H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252890
PNG
(CHEMBL4064973)
Show SMILES FS(F)(F)(F)(F)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20F5NO3S2/c26-36(27,28,29,30)25-17-15-24(16-18-25)35(32,33)31(19-20-7-3-1-4-8-20)21-11-13-23(14-12-21)34-22-9-5-2-6-10-22/h1-18H,19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252891
PNG
(CHEMBL4085580)
Show SMILES O=S(=O)(N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccccc1C#N
Show InChI InChI=1S/C26H20N2O3S/c27-19-22-11-7-8-14-26(22)32(29,30)28(20-21-9-3-1-4-10-21)23-15-17-25(18-16-23)31-24-12-5-2-6-13-24/h1-18H,20H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252871
PNG
(CHEMBL4089302)
Show SMILES O=S(=O)(N(Cc1cccc2ccccc12)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H22N2O3S/c31-21-23-13-19-29(20-14-23)36(33,34)32(22-25-9-6-8-24-7-4-5-12-30(24)25)26-15-17-28(18-16-26)35-27-10-2-1-3-11-27/h1-20H,22H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252928
PNG
(CHEMBL4067685)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20BrNO3S/c26-21-11-17-25(18-12-21)31(28,29)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)30-23-9-5-2-6-10-23/h1-18H,19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252916
PNG
(CHEMBL4087413)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H29NO3S/c1-29(2,3)24-14-20-28(21-15-24)34(31,32)30(22-23-10-6-4-7-11-23)25-16-18-27(19-17-25)33-26-12-8-5-9-13-26/h4-21H,22H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252913
PNG
(CHEMBL4066740)
Show SMILES Clc1ccccc1CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClN2O3S/c27-26-9-5-4-6-21(26)19-29(33(30,31)25-16-10-20(18-28)11-17-25)22-12-14-24(15-13-22)32-23-7-2-1-3-8-23/h1-17H,19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252914
PNG
(CHEMBL4104398)
Show SMILES Clc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H19ClN2O3S/c27-22-10-6-21(7-11-22)19-29(33(30,31)26-16-8-20(18-28)9-17-26)23-12-14-25(15-13-23)32-24-4-2-1-3-5-24/h1-17H,19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252883
PNG
(CHEMBL4102861)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H20F3NO3S/c27-26(28,29)21-11-17-25(18-12-21)34(31,32)30(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)33-23-9-5-2-6-10-23/h1-18H,19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252942
PNG
(CHEMBL4101125)
Show SMILES COc1ccc(Oc2ccc(cc2)N(Cc2ccccc2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H22N2O4S/c1-32-24-13-15-26(16-14-24)33-25-11-9-23(10-12-25)29(20-22-5-3-2-4-6-22)34(30,31)27-17-7-21(19-28)8-18-27/h2-18H,20H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252915
PNG
(CHEMBL4086504)
Show SMILES Fc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H19FN2O3S/c27-22-10-6-21(7-11-22)19-29(33(30,31)26-16-8-20(18-28)9-17-26)23-12-14-25(15-13-23)32-24-4-2-1-3-5-24/h1-17H,19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50252870
PNG
(CHEMBL4097001)
Show SMILES O=S(=O)(N(CCc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H22N2O3S/c28-21-23-11-17-27(18-12-23)33(30,31)29(20-19-22-7-3-1-4-8-22)24-13-15-26(16-14-24)32-25-9-5-2-6-10-25/h1-18H,19-20H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Molecular and Cellular Biosciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-0032 Tokyo, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase re...

Bioorg Med Chem 25: 3461-3470 (2017)


Article DOI: 10.1016/j.bmc.2017.04.032
BindingDB Entry DOI: 10.7270/Q2SF2ZK6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%