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Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with all data for entry = 50043650   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444205
PNG
(CHEMBL3093463)
Show SMILES CC[C@@H](Cn1cc(C#N)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H18Cl2N4O2S/c1-2-14(11-25-10-12(9-22)15-5-3-4-6-18(15)25)24-28(26,27)19-16(21)7-13(20)8-17(19)23/h3-8,10,14,24H,2,11,23H2,1H3/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444187
PNG
(CHEMBL3093461)
Show SMILES CC[C@@H](Cn1ccc2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H19Cl2N3O2S/c1-2-14(11-23-8-7-12-5-3-4-6-17(12)23)22-26(24,25)18-15(20)9-13(19)10-16(18)21/h3-10,14,22H,2,11,21H2,1H3/t14-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444204
PNG
(CHEMBL3093462)
Show SMILES CC[C@@H](Cn1cc(C)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H21Cl2N3O2S/c1-3-14(11-24-10-12(2)15-6-4-5-7-18(15)24)23-27(25,26)19-16(21)8-13(20)9-17(19)22/h4-10,14,23H,3,11,22H2,1-2H3/t14-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444195
PNG
(CHEMBL3093440)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N3O2S/c1-10(6-11-9-21-16-5-3-2-4-13(11)16)22-25(23,24)17-14(19)7-12(18)8-15(17)20/h2-5,7-10,21-22H,6,20H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444206
PNG
(CHEMBL3093453)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cc(C)cc12)C#N)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O2S/c1-12-5-14(3)21(15(4)6-12)31(29,30)28-19(22(23,24)25)9-17-11-27-20-16(10-26)7-13(2)8-18(17)20/h5-8,11,19,27-28H,9H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444205
PNG
(CHEMBL3093463)
Show SMILES CC[C@@H](Cn1cc(C#N)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H18Cl2N4O2S/c1-2-14(11-25-10-12(9-22)15-5-3-4-6-18(15)25)24-28(26,27)19-16(21)7-13(20)8-17(19)23/h3-8,10,14,24H,2,11,23H2,1H3/t14-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444194
PNG
(CHEMBL3093441)
Show SMILES Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C17H14Cl2F3N3O2S/c18-10-6-12(19)16(13(23)7-10)28(26,27)25-15(17(20,21)22)5-9-8-24-14-4-2-1-3-11(9)14/h1-4,6-8,15,24-25H,5,23H2
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444204
PNG
(CHEMBL3093462)
Show SMILES CC[C@@H](Cn1cc(C)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H21Cl2N3O2S/c1-3-14(11-24-10-12(2)15-6-4-5-7-18(15)24)23-27(25,26)19-16(21)8-13(20)9-17(19)22/h4-10,14,23H,3,11,22H2,1-2H3/t14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444207
PNG
(CHEMBL3093452)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-12-7-13(2)20(14(3)8-12)30(28,29)27-18(21(22,23)24)9-16-11-26-19-15(10-25)5-4-6-17(16)19/h4-8,11,18,26-27H,9H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444203
PNG
(CHEMBL3093446)
Show SMILES Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-5-6-18-17(9-12)16(11-25-18)10-19(21(22,23)24)26-29(27,28)20-14(3)7-13(2)8-15(20)4/h5-9,11,19,25-26H,10H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444191
PNG
(CHEMBL3093444)
Show SMILES CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H19Cl2N3O2S/c1-18(2,9-11-10-22-16-6-4-3-5-13(11)16)23-26(24,25)17-14(20)7-12(19)8-15(17)21/h3-8,10,22-23H,9,21H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444188
PNG
(CHEMBL3093456)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1cc(C#N)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-13-8-14(2)20(15(3)9-13)30(28,29)26-19(21(22,23)24)12-27-11-16(10-25)17-6-4-5-7-18(17)27/h4-9,11,19,26H,12H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444206
PNG
(CHEMBL3093453)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cc(C)cc12)C#N)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O2S/c1-12-5-14(3)21(15(4)6-12)31(29,30)28-19(22(23,24)25)9-17-11-27-20-16(10-26)7-13(2)8-18(17)20/h5-8,11,19,27-28H,9H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444192
PNG
(CHEMBL3093443)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-12-8-13(2)19(14(3)9-12)28(26,27)25-18(20(21,22)23)10-15-11-24-17-7-5-4-6-16(15)17/h4-9,11,18,24-25H,10H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444186
PNG
(CHEMBL3093445)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cccc(C)c12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-8-14(3)20(15(4)9-12)29(27,28)26-18(21(22,23)24)10-16-11-25-17-7-5-6-13(2)19(16)17/h5-9,11,18,25-26H,10H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444185
PNG
(CHEMBL3093448)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(C)cccc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-8-14(3)20(15(4)9-12)29(27,28)26-18(21(22,23)24)10-16-11-25-19-13(2)6-5-7-17(16)19/h5-9,11,18,25-26H,10H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444184
PNG
(CHEMBL3093460)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CSc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H20F3NO2S2/c1-12-9-13(2)17(14(3)10-12)26(23,24)22-16(18(19,20)21)11-25-15-7-5-4-6-8-15/h4-10,16,22H,11H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444202
PNG
(CHEMBL3093454)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444193
PNG
(CHEMBL3093442)
Show SMILES FC(F)(F)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C17H12Cl3F3N2O2S/c18-10-6-12(19)16(13(20)7-10)28(26,27)25-15(17(21,22)23)5-9-8-24-14-4-2-1-3-11(9)14/h1-4,6-8,15,24-25H,5H2
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n/an/a 35n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444190
PNG
(CHEMBL3093447)
Show SMILES Cc1ccc2c(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c[nH]c2c1
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-5-6-17-16(11-25-18(17)9-12)10-19(21(22,23)24)26-29(27,28)20-14(3)7-13(2)8-15(20)4/h5-9,11,19,25-26H,10H2,1-4H3
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n/an/a 37n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198964
PNG
((S)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444207
PNG
(CHEMBL3093452)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-12-7-13(2)20(14(3)8-12)30(28,29)27-18(21(22,23)24)9-16-11-26-19-15(10-25)5-4-6-17(16)19/h4-8,11,18,26-27H,9H2,1-3H3
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n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444194
PNG
(CHEMBL3093441)
Show SMILES Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C17H14Cl2F3N3O2S/c18-10-6-12(19)16(13(23)7-10)28(26,27)25-15(17(20,21)22)5-9-8-24-14-4-2-1-3-11(9)14/h1-4,6-8,15,24-25H,5,23H2
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n/an/a 56n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444201
PNG
(CHEMBL3093457)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2c(cccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-13-9-14(2)20(15(3)10-13)30(28,29)26-19(21(22,23)24)12-27-8-7-17-16(11-25)5-4-6-18(17)27/h4-10,19,26H,12H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198973
PNG
(CHEMBL396029 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-13(11)16)22-25(23,24)17-14(19)7-12(18)8-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 64n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444188
PNG
(CHEMBL3093456)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1cc(C#N)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-13-8-14(2)20(15(3)9-13)30(28,29)26-19(21(22,23)24)12-27-11-16(10-25)17-6-4-5-7-18(17)27/h4-9,11,19,26H,12H2,1-3H3
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444207
PNG
(CHEMBL3093452)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-12-7-13(2)20(14(3)8-12)30(28,29)27-18(21(22,23)24)9-16-11-26-19-15(10-25)5-4-6-17(16)19/h4-8,11,18,26-27H,9H2,1-3H3
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n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444192
PNG
(CHEMBL3093443)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-12-8-13(2)19(14(3)9-12)28(26,27)25-18(20(21,22)23)10-15-11-24-17-7-5-4-6-16(15)17/h4-9,11,18,24-25H,10H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444186
PNG
(CHEMBL3093445)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cccc(C)c12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-8-14(3)20(15(4)9-12)29(27,28)26-18(21(22,23)24)10-16-11-25-17-7-5-6-13(2)19(16)17/h5-9,11,18,25-26H,10H2,1-4H3
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444193
PNG
(CHEMBL3093442)
Show SMILES FC(F)(F)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C17H12Cl3F3N2O2S/c18-10-6-12(19)16(13(20)7-10)28(26,27)25-15(17(21,22)23)5-9-8-24-14-4-2-1-3-11(9)14/h1-4,6-8,15,24-25H,5H2
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444185
PNG
(CHEMBL3093448)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(C)cccc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-8-14(3)20(15(4)9-12)29(27,28)26-18(21(22,23)24)10-16-11-25-19-13(2)6-5-7-17(16)19/h5-9,11,18,25-26H,10H2,1-4H3
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n/an/a 90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444203
PNG
(CHEMBL3093446)
Show SMILES Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-5-6-18-17(9-12)16(11-25-18)10-19(21(22,23)24)26-29(27,28)20-14(3)7-13(2)8-15(20)4/h5-9,11,19,25-26H,10H2,1-4H3
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n/an/a 90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444200
PNG
(CHEMBL3093458)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CNc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O2S/c1-12-9-13(2)17(14(3)10-12)26(24,25)23-16(18(19,20)21)11-22-15-7-5-4-6-8-15/h4-10,16,22-23H,11H2,1-3H3
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n/an/a 95n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444201
PNG
(CHEMBL3093457)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2c(cccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-13-9-14(2)20(15(3)10-13)30(28,29)26-19(21(22,23)24)12-27-8-7-17-16(11-25)5-4-6-18(17)27/h4-10,19,26H,12H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444206
PNG
(CHEMBL3093453)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cc(C)cc12)C#N)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O2S/c1-12-5-14(3)21(15(4)6-12)31(29,30)28-19(22(23,24)25)9-17-11-27-20-16(10-26)7-13(2)8-18(17)20/h5-8,11,19,27-28H,9H2,1-4H3
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n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444202
PNG
(CHEMBL3093454)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444195
PNG
(CHEMBL3093440)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N3O2S/c1-10(6-11-9-21-16-5-3-2-4-13(11)16)22-25(23,24)17-14(19)7-12(18)8-15(17)20/h2-5,7-10,21-22H,6,20H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198973
PNG
(CHEMBL396029 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-13(11)16)22-25(23,24)17-14(19)7-12(18)8-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444190
PNG
(CHEMBL3093447)
Show SMILES Cc1ccc2c(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c[nH]c2c1
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-5-6-17-16(11-25-18(17)9-12)10-19(21(22,23)24)26-29(27,28)20-14(3)7-13(2)8-15(20)4/h5-9,11,19,25-26H,10H2,1-4H3
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n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444198
PNG
(CHEMBL3093449)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cccc(C#N)c12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-12-7-13(2)20(14(3)8-12)30(28,29)27-18(21(22,23)24)9-16-11-26-17-6-4-5-15(10-25)19(16)17/h4-8,11,18,26-27H,9H2,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444203
PNG
(CHEMBL3093446)
Show SMILES Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1
Show InChI InChI=1S/C21H23F3N2O2S/c1-12-5-6-18-17(9-12)16(11-25-18)10-19(21(22,23)24)26-29(27,28)20-14(3)7-13(2)8-15(20)4/h5-9,11,19,25-26H,10H2,1-4H3
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n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444197
PNG
(CHEMBL3093450)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2ccc(cc12)C#N)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2S/c1-12-6-13(2)20(14(3)7-12)30(28,29)27-19(21(22,23)24)9-16-11-26-18-5-4-15(10-25)8-17(16)18/h4-8,11,19,26-27H,9H2,1-3H3
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n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444199
PNG
(CHEMBL3093459)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(COc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H20F3NO3S/c1-12-9-13(2)17(14(3)10-12)26(23,24)22-16(18(19,20)21)11-25-15-7-5-4-6-8-15/h4-10,16,22H,11H2,1-3H3
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n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444189
PNG
(CHEMBL3093455)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O2S/c1-12-9-13(2)18(14(3)10-12)28(26,27)24-17(19(20,21)22)11-25-8-6-15-16(25)5-4-7-23-15/h4-10,17,24H,11H2,1-3H3
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n/an/a 220n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444200
PNG
(CHEMBL3093458)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CNc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O2S/c1-12-9-13(2)17(14(3)10-12)26(24,25)23-16(18(19,20)21)11-22-15-7-5-4-6-8-15/h4-10,16,22-23H,11H2,1-3H3
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n/an/a 260n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444204
PNG
(CHEMBL3093462)
Show SMILES CC[C@@H](Cn1cc(C)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H21Cl2N3O2S/c1-3-14(11-24-10-12(2)15-6-4-5-7-18(15)24)23-27(25,26)19-16(21)8-13(20)9-17(19)22/h4-10,14,23H,3,11,22H2,1-2H3/t14-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444194
PNG
(CHEMBL3093441)
Show SMILES Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C17H14Cl2F3N3O2S/c18-10-6-12(19)16(13(23)7-10)28(26,27)25-15(17(20,21)22)5-9-8-24-14-4-2-1-3-11(9)14/h1-4,6-8,15,24-25H,5,23H2
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n/an/a 270n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
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