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Compile Data Set for Download or QSAR

Found 739 hits with Last Name = 'betageri' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid 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))
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 0.510n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
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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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))
BDBM50356050
PNG
(CHEMBL1911650)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-21(2,18-10-16(24)5-7-20(18)31-3)13-22(30,23(25,26)27)11-17-9-15-8-14(12-28)4-6-19(15)29-17/h4-10,29-30H,11,13H2,1-3H3/t22-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50330100
PNG
(CHEMBL1271550 | N-(4-(3-(pyridin-3-yl)-5-(trifluor...)
Show SMILES FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)cc1)-c1cccnc1
Show InChI InChI=1S/C22H15F3N4O/c23-22(24,25)20-13-19(16-7-4-12-26-14-16)28-29(20)18-10-8-17(9-11-18)27-21(30)15-5-2-1-3-6-15/h1-14H,(H,27,30)
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Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cDPPO from human Ephx2 by cell-based assay


Bioorg Med Chem Lett 20: 6379-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.095
BindingDB Entry DOI: 10.7270/Q2V69JT7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50208836
PNG
((R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-4-...)
Show SMILES O=C(C[C@@H](CC1CCc2ccccc2C1)C(=O)N[C@@]1(CCN(C1)C1CCCCC1)C#N)N1CCOCC1 |w:5.4|
Show InChI InChI=1S/C30H42N4O3/c31-21-30(12-13-34(22-30)27-8-2-1-3-9-27)32-29(36)26(20-28(35)33-14-16-37-17-15-33)19-23-10-11-24-6-4-5-7-25(24)18-23/h4-7,23,26-27H,1-3,8-20,22H2,(H,32,36)/t23?,26-,30+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 17: 2465-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.046
BindingDB Entry DOI: 10.7270/Q24X57G7
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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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))
BDBM50356060
PNG
(CHEMBL1911664)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H25F3N2O4S/c1-23(2,20-11-19(35(3,32)33)10-17-6-7-34-22(17)20)14-24(31,25(26,27)28)12-18-9-16-5-4-15(13-29)8-21(16)30-18/h4-5,8-11,30-31H,6-7,12,14H2,1-3H3/t24-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50215054
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,42)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Jnk2


Bioorg Med Chem Lett 17: 4242-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.042
BindingDB Entry DOI: 10.7270/Q27S7NHZ
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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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))
BDBM50356050
PNG
(CHEMBL1911650)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N2O2/c1-21(2,18-10-16(24)5-7-20(18)31-3)13-22(30,23(25,26)27)11-17-9-15-8-14(12-28)4-6-19(15)29-17/h4-10,29-30H,11,13H2,1-3H3/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449077
PNG
(CHEMBL3126951)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-14(21)7-16(12)18(2,3)11-19(28,20(22,23)24)8-15-6-13-9-25-26-10-17(13)27-15/h4-7,9-10,27-28H,8,11H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50277623
PNG
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)
Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of JNK2alpha2 (unknown origin) by by exchange curve binding kinetic analysis


Bioorg Med Chem Lett 19: 2386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.104
BindingDB Entry DOI: 10.7270/Q22N525R
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 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50449056
PNG
(CHEMBL3126949)
Show SMILES Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-13(21)6-15(12)18(2,3)10-19(28,20(22,23)24)8-14-7-16-17(27-14)9-25-11-26-16/h4-7,9,11,27-28H,8,10H2,1-3H3/t19-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449074
PNG
(CHEMBL3126954)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cncnc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O2/c1-18(2,15-7-13(21)4-5-16(15)29-3)10-19(28,20(22,23)24)8-14-6-12-9-25-11-26-17(12)27-14/h4-7,9,11,28H,8,10H2,1-3H3,(H,25,26,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50172022
PNG
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 15: 4761-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50330103
PNG
(CHEMBL1271608 | N-(5-(3-(pyridin-3-yl)-5-(trifluor...)
Show SMILES FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)nc1)-c1cccnc1
Show InChI InChI=1S/C21H14F3N5O/c22-21(23,24)18-11-17(15-7-4-10-25-12-15)28-29(18)16-8-9-19(26-13-16)27-20(30)14-5-2-1-3-6-14/h1-13H,(H,26,27,30)
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n/an/a 4.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Ephx2 after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6379-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.095
BindingDB Entry DOI: 10.7270/Q2V69JT7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449077
PNG
(CHEMBL3126951)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-14(21)7-16(12)18(2,3)11-19(28,20(22,23)24)8-15-6-13-9-25-26-10-17(13)27-15/h4-7,9-10,27-28H,8,11H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human fibroblasts assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
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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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))
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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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))
BDBM50449057
PNG
(CHEMBL3126948)
Show SMILES Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2nnccc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-13(21)8-15(12)18(2,3)11-19(28,20(22,23)24)10-14-9-17-16(26-14)6-7-25-27-17/h4-9,26,28H,10-11H2,1-3H3/t19-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449060
PNG
(CHEMBL3126945)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
Show InChI InChI=1S/C21H21ClF3N3O2/c1-19(2,15-6-13(22)5-12-3-4-30-18(12)15)10-20(29,21(23,24)25)8-14-7-16-17(28-14)9-26-11-27-16/h5-7,9,11,28-29H,3-4,8,10H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449063
PNG
(CHEMBL3126942)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O
Show InChI InChI=1S/C19H19F4N3O2/c1-17(2,13-4-3-11(20)5-16(13)27)9-18(28,19(21,22)23)7-12-6-14-15(26-12)8-24-10-25-14/h3-6,8,10,26-28H,7,9H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356059
PNG
(CHEMBL1911662)
Show SMILES CC(C)(CC(O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C25H25F3N2O4S/c1-23(2,20-11-19(35(3,32)33)10-17-6-7-34-22(17)20)14-24(31,25(26,27)28)12-18-9-16-5-4-15(13-29)8-21(16)30-18/h4-5,8-11,30-31H,6-7,12,14H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449069
PNG
(CHEMBL3126936)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C25H24F4N4O/c1-15-6-7-17(26)9-19(15)23(2,3)14-24(34,25(27,28)29)11-18-10-20-21(32-18)13-31-22(33-20)16-5-4-8-30-12-16/h4-10,12-13,32,34H,11,14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449070
PNG
(CHEMBL3126935)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N3O/c1-16-9-10-18(27)11-20(16)24(2,3)15-25(34,26(28,29)30)13-19-12-21-22(32-19)14-31-23(33-21)17-7-5-4-6-8-17/h4-12,14,32,34H,13,15H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50330103
PNG
(CHEMBL1271608 | N-(5-(3-(pyridin-3-yl)-5-(trifluor...)
Show SMILES FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)nc1)-c1cccnc1
Show InChI InChI=1S/C21H14F3N5O/c22-21(23,24)18-11-17(15-7-4-10-25-12-15)28-29(18)16-8-9-19(26-13-16)27-20(30)14-5-2-1-3-6-14/h1-13H,(H,26,27,30)
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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 [3H]-cDPPO from human Ephx2 by cell-based assay


Bioorg Med Chem Lett 20: 6379-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.095
BindingDB Entry DOI: 10.7270/Q2V69JT7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356044
PNG
(CHEMBL1911644)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(cccc2[nH]1)C#N)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O2/c1-21(2,18-9-15(24)7-8-20(18)31-3)13-22(30,23(25,26)27)11-16-10-17-14(12-28)5-4-6-19(17)29-16/h4-10,29-30H,11,13H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356063
PNG
(CHEMBL1911661)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C25H25F3N2O4S/c1-23(2,20-11-19(35(3,32)33)10-16-6-7-34-22(16)20)14-24(31,25(26,27)28)12-18-9-17-8-15(13-29)4-5-21(17)30-18/h4-5,8-11,30-31H,6-7,12,14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449067
PNG
(CHEMBL3126938)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C24H28F4N4O2/c1-15-4-5-16(25)10-18(15)22(2,3)14-23(33,24(26,27)28)12-17-11-19-20(30-17)13-29-21(31-19)32-6-8-34-9-7-32/h4-5,10-11,13,30,33H,6-9,12,14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449076
PNG
(CHEMBL3126952)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(nnc2[nH]1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N3O/c1-16-9-10-19(27)13-21(16)24(2,3)15-25(34,26(28,29)30)14-20-11-18-12-22(32-33-23(18)31-20)17-7-5-4-6-8-17/h4-13,34H,14-15H2,1-3H3,(H,31,33)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human fibroblasts assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356042
PNG
(CHEMBL1911548)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO2/c1-14-6-5-7-19-17(14)11-16(28-19)12-22(29,23(25,26)27)13-21(2,3)18-10-15(24)8-9-20(18)30-4/h5-11,28-29H,12-13H2,1-4H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356062
PNG
(CHEMBL1911660)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C24H26F3NO4S/c1-22(2,19-12-18(33(3,30)31)11-16-8-9-32-21(16)19)14-23(29,24(25,26)27)13-17-10-15-6-4-5-7-20(15)28-17/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50172021
PNG
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)
Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O
Show InChI InChI=1S/C21H19F4NO5/c1-19(2,15-8-12(22)3-6-16(15)27)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-31-17(14)28/h3-8,27,30H,9-10H2,1-2H3,(H,26,29)
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Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 15: 4761-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50330100
PNG
(CHEMBL1271550 | N-(4-(3-(pyridin-3-yl)-5-(trifluor...)
Show SMILES FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)cc1)-c1cccnc1
Show InChI InChI=1S/C22H15F3N4O/c23-22(24,25)20-13-19(16-7-4-12-26-14-16)28-29(20)18-10-8-17(9-11-18)27-21(30)15-5-2-1-3-6-15/h1-14H,(H,27,30)
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n/an/a 6.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Ephx2 after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6379-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.095
BindingDB Entry DOI: 10.7270/Q2V69JT7
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))
BDBM50449061
PNG
(CHEMBL3126944)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
Show InChI InChI=1S/C21H21F4N3O2/c1-19(2,15-6-13(22)5-12-3-4-30-18(12)15)10-20(29,21(23,24)25)8-14-7-16-17(28-14)9-26-11-27-16/h5-7,9,11,28-29H,3-4,8,10H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449064
PNG
(CHEMBL3126941)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O
Show InChI InChI=1S/C19H19F4N3O2/c1-17(2,13-5-11(20)3-4-16(13)27)9-18(28,19(21,22)23)7-12-6-14-15(26-12)8-24-10-25-14/h3-6,8,10,26-28H,7,9H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449055
PNG
(CHEMBL3126950)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nnccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-13(21)8-15(12)18(2,3)11-19(28,20(22,23)24)10-14-9-17-16(26-14)6-7-25-27-17/h4-9,26,28H,10-11H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356036
PNG
(CHEMBL1911542)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F4NO2/c1-20(2,17-11-15(23)8-9-19(17)29-3)13-21(28,22(24,25)26)12-16-10-14-6-4-5-7-18(14)27-16/h4-11,27-28H,12-13H2,1-3H3/t21-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50172020
PNG
(2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12
Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 15: 4761-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50172032
PNG
(2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12
Show InChI InChI=1S/C28H28N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h4-16,33H,17-18H2,1-3H3,(H,29,32)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 15: 4761-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356057
PNG
(CHEMBL1911657)
Show SMILES Cc1cc2CCOc2c(c1)C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO2/c1-15-10-17-8-9-30-21(17)19(11-15)22(2,3)14-23(29,24(25,26)27)13-18-12-16-6-4-5-7-20(16)28-18/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50330099
PNG
(CHEMBL1271498 | N-(4-(3-(pyridin-3-yl)-5-(trifluor...)
Show SMILES FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccncc2)cc1)-c1cccnc1
Show InChI InChI=1S/C21H14F3N5O/c22-21(23,24)19-12-18(15-2-1-9-26-13-15)28-29(19)17-5-3-16(4-6-17)27-20(30)14-7-10-25-11-8-14/h1-13H,(H,27,30)
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n/an/a 7.30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Ephx2 after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6379-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.095
BindingDB Entry DOI: 10.7270/Q2V69JT7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449070
PNG
(CHEMBL3126935)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N3O/c1-16-9-10-18(27)11-20(16)24(2,3)15-25(34,26(28,29)30)13-19-12-21-22(32-19)14-31-23(33-21)17-7-5-4-6-8-17/h4-12,14,32,34H,13,15H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human fibroblasts assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449066
PNG
(CHEMBL3126939)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCS(=O)(=O)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F4N4O3S/c1-15-4-5-16(25)10-18(15)22(2,3)14-23(33,24(26,27)28)12-17-11-19-20(30-17)13-29-21(31-19)32-6-8-36(34,35)9-7-32/h4-5,10-11,13,30,33H,6-9,12,14H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449075
PNG
(CHEMBL3126953)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c1-12-4-5-13(21)6-15(12)18(2,3)10-19(28,20(22,23)24)8-14-7-16-17(27-14)9-25-11-26-16/h4-7,9,11,27-28H,8,10H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
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