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PubMed code 27919657

Compile data set for download or QSAR
Found 24 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))		BDBM50206900
PNG
(CHEMBL3895181)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCC=C)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C31H36N2O3/c1-5-14-31(35)15-13-25-24-12-9-21-18-22(29(34)33-26-8-7-16-32-20(26)3)10-11-23(21)28(24)27(36-17-6-2)19-30(25,31)4/h6-8,10-11,16,18,24-25,27-28,35H,2,9,12-13,15,17,19H2,1,3-4H3,(H,33,34)/t24-,25-,27-,28+,30-,31-/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206950
PNG
(CHEMBL3933702)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCc1ccc(Cl)cc1)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C35H37ClN2O3/c1-4-16-35(40)17-15-29-28-14-9-24-19-25(33(39)38-30-6-5-18-37-22(30)2)10-13-27(24)32(28)31(20-34(29,35)3)41-21-23-7-11-26(36)12-8-23/h5-8,10-13,18-19,28-29,31-32,40H,9,14-15,17,20-21H2,1-3H3,(H,38,39)/t28-,29-,31-,32+,34-,35-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206947
PNG
(CHEMBL3966490)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCc1ccccc1)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C35H38N2O3/c1-4-17-35(39)18-16-29-28-15-12-25-20-26(33(38)37-30-11-8-19-36-23(30)2)13-14-27(25)32(28)31(21-34(29,35)3)40-22-24-9-6-5-7-10-24/h5-11,13-14,19-20,28-29,31-32,39H,12,15-16,18,21-22H2,1-3H3,(H,37,38)/t28-,29-,31-,32+,34-,35-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206952
PNG
(CHEMBL3907029)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCc1cccc(Cl)c1)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C35H37ClN2O3/c1-4-15-35(40)16-14-29-28-13-10-24-19-25(33(39)38-30-9-6-17-37-22(30)2)11-12-27(24)32(28)31(20-34(29,35)3)41-21-23-7-5-8-26(36)18-23/h5-9,11-12,17-19,28-29,31-32,40H,10,13-14,16,20-21H2,1-3H3,(H,38,39)/t28-,29-,31-,32+,34-,35-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206951
PNG
(CHEMBL3904106)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCc1ccccc1Cl)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C35H37ClN2O3/c1-4-16-35(40)17-15-28-27-14-11-23-19-24(33(39)38-30-10-7-18-37-22(30)2)12-13-26(23)32(27)31(20-34(28,35)3)41-21-25-8-5-6-9-29(25)36/h5-10,12-13,18-19,27-28,31-32,40H,11,14-15,17,20-21H2,1-3H3,(H,38,39)/t27-,28-,31-,32+,34-,35-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206944
PNG
(CHEMBL3927299)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C30H36N2O3/c1-18(2)11-13-30(35)14-12-24-23-10-7-20-16-21(28(34)32-25-6-5-15-31-19(25)3)8-9-22(20)27(23)26(33)17-29(24,30)4/h5-6,8-9,15-16,18,23-24,26-27,33,35H,7,10,12,14,17H2,1-4H3,(H,32,34)/t23-,24-,26-,27+,29-,30-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206953
PNG
(CHEMBL3982975)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OC(=O)OCC=C)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C32H36N2O5/c1-5-14-32(37)15-13-25-24-12-9-21-18-22(29(35)34-26-8-7-16-33-20(26)3)10-11-23(21)28(24)27(19-31(25,32)4)39-30(36)38-17-6-2/h6-8,10-11,16,18,24-25,27-28,37H,2,9,12-13,15,17,19H2,1,3-4H3,(H,34,35)/t24-,25-,27-,28+,31-,32-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206935
PNG
(CHEMBL3956011)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1ccc(C)nc1 |r|
Show InChI InChI=1S/C25H30N2O3/c1-14-3-6-17(13-26-14)27-24(30)16-5-7-18-15(11-16)4-8-19-20-9-10-22(29)25(20,2)12-21(28)23(18)19/h3,5-7,11,13,19-23,28-29H,4,8-10,12H2,1-2H3,(H,27,30)/t19-,20-,21-,22-,23+,25-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206898
PNG
(CHEMBL3967119)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C27H30N2O3/c1-3-11-27(32)12-10-22-21-9-6-17-14-18(25(31)29-19-5-4-13-28-16-19)7-8-20(17)24(21)23(30)15-26(22,27)2/h4-5,7-8,13-14,16,21-24,30,32H,6,9-10,12,15H2,1-2H3,(H,29,31)/t21-,22-,23-,24+,26-,27-/m0/s1
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n/an/a 455n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206903
PNG
(CHEMBL3928010)
Show SMILES [H][C@@]12CC[C@@](O)(C#Cc3ccccc3)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C33H34N2O3/c1-21-28(9-6-18-34-21)35-31(37)24-11-12-25-23(19-24)10-13-26-27-15-17-33(38,16-14-22-7-4-3-5-8-22)32(27,2)20-29(36)30(25)26/h3-9,11-12,18-19,26-27,29-30,36,38H,10,13,15,17,20H2,1-2H3,(H,35,37)/t26-,27-,29-,30+,32-,33-/m0/s1
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n/an/a 558n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206954
PNG
(CHEMBL3937406)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-12-28(33)13-11-22-21-10-7-18-15-19(26(32)30-23-6-5-14-29-17(23)2)8-9-20(18)25(21)24(31)16-27(22,28)3/h5-6,8-9,14-15,21-22,24-25,31,33H,7,10-11,13,16H2,1-3H3,(H,30,32)/t21-,22-,24-,25+,27-,28-/m0/s1
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n/an/a 626n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206949
PNG
(CHEMBL3891049)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1ccncc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-11-28(33)12-9-22-21-8-5-18-14-19(26(32)30-23-10-13-29-16-17(23)2)6-7-20(18)25(21)24(31)15-27(22,28)3/h6-7,10,13-14,16,21-22,24-25,31,33H,5,8-9,12,15H2,1-3H3,(H,29,30,32)/t21-,22-,24-,25+,27-,28-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206934
PNG
(CHEMBL3937005)
Show SMILES [H][C@@]12CC[C@@](O)(C#CCCCC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C31H38N2O3/c1-4-5-6-7-15-31(36)16-14-25-24-13-10-21-18-22(29(35)33-26-9-8-17-32-20(26)2)11-12-23(21)28(24)27(34)19-30(25,31)3/h8-9,11-12,17-18,24-25,27-28,34,36H,4-6,10,13-14,16,19H2,1-3H3,(H,33,35)/t24-,25-,27-,28+,30-,31-/m0/s1
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n/an/a 2.35E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206954
PNG
(CHEMBL3937406)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-12-28(33)13-11-22-21-10-7-18-15-19(26(32)30-23-6-5-14-29-17(23)2)8-9-20(18)25(21)24(31)16-27(22,28)3/h5-6,8-9,14-15,21-22,24-25,31,33H,7,10-11,13,16H2,1-3H3,(H,30,32)/t21-,22-,24-,25+,27-,28-/m0/s1
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n/an/an/an/a 265n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206900
PNG
(CHEMBL3895181)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCC=C)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C31H36N2O3/c1-5-14-31(35)15-13-25-24-12-9-21-18-22(29(34)33-26-8-7-16-32-20(26)3)10-11-23(21)28(24)27(36-17-6-2)19-30(25,31)4/h6-8,10-11,16,18,24-25,27-28,35H,2,9,12-13,15,17,19H2,1,3-4H3,(H,33,34)/t24-,25-,27-,28+,30-,31-/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206902
PNG
(CHEMBL3983602)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cnccc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-11-28(33)12-9-22-21-8-5-18-14-19(26(32)30-23-16-29-13-10-17(23)2)6-7-20(18)25(21)24(31)15-27(22,28)3/h6-7,10,13-14,16,21-22,24-25,31,33H,5,8-9,12,15H2,1-3H3,(H,30,32)/t21-,22-,24-,25+,27-,28-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206940
PNG
(CHEMBL3981243)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCC)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C30H36N2O3/c1-5-14-30(34)15-13-24-23-12-9-20-17-21(28(33)32-25-8-7-16-31-19(25)3)10-11-22(20)27(23)26(35-6-2)18-29(24,30)4/h7-8,10-11,16-17,23-24,26-27,34H,6,9,12-13,15,18H2,1-4H3,(H,32,33)/t23-,24-,26-,27+,29-,30-/m0/s1
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n/an/an/an/a 0.0500n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206944
PNG
(CHEMBL3927299)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C30H36N2O3/c1-18(2)11-13-30(35)14-12-24-23-10-7-20-16-21(28(34)32-25-6-5-15-31-19(25)3)8-9-22(20)27(23)26(33)17-29(24,30)4/h5-6,8-9,15-16,18,23-24,26-27,33,35H,7,10,12,14,17H2,1-4H3,(H,32,34)/t23-,24-,26-,27+,29-,30-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206934
PNG
(CHEMBL3937005)
Show SMILES [H][C@@]12CC[C@@](O)(C#CCCCC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C31H38N2O3/c1-4-5-6-7-15-31(36)16-14-25-24-13-10-21-18-22(29(35)33-26-9-8-17-32-20(26)2)11-12-23(21)28(24)27(34)19-30(25,31)3/h8-9,11-12,17-18,24-25,27-28,34,36H,4-6,10,13-14,16,19H2,1-3H3,(H,33,35)/t24-,25-,27-,28+,30-,31-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206901
PNG
(CHEMBL3894105)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r,t:13|
Show InChI InChI=1S/C28H30N2O2/c1-4-13-28(32)15-12-24-23-10-7-19-17-20(26(31)30-25-6-5-16-29-18(25)2)8-9-21(19)22(23)11-14-27(24,28)3/h5-6,8-9,11,16-17,23-24,32H,7,10,12,14-15H2,1-3H3,(H,30,31)/t23-,24+,27+,28+/m1/s1
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n/an/an/an/a 1.86E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206949
PNG
(CHEMBL3891049)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1ccncc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-11-28(33)12-9-22-21-8-5-18-14-19(26(32)30-23-10-13-29-16-17(23)2)6-7-20(18)25(21)24(31)15-27(22,28)3/h6-7,10,13-14,16,21-22,24-25,31,33H,5,8-9,12,15H2,1-3H3,(H,29,30,32)/t21-,22-,24-,25+,27-,28-/m0/s1
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n/an/an/an/a 149n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206899
PNG
(CHEMBL3964460)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C29H34N2O3/c1-5-13-29(33)14-12-23-22-11-8-19-16-20(27(32)31-24-7-6-15-30-18(24)2)9-10-21(19)26(22)25(34-4)17-28(23,29)3/h6-7,9-10,15-16,22-23,25-26,33H,8,11-12,14,17H2,1-4H3,(H,31,32)/t22-,23-,25-,26+,28-,29-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206946
PNG
(CHEMBL3954977)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1ncccc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-12-28(33)13-11-22-21-10-7-18-15-19(26(32)30-25-17(2)6-5-14-29-25)8-9-20(18)24(21)23(31)16-27(22,28)3/h5-6,8-9,14-15,21-24,31,33H,7,10-11,13,16H2,1-3H3,(H,29,30,32)/t21-,22-,23-,24+,27-,28-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50206945
PNG
(CHEMBL3909248)
Show SMILES [H][C@@]12CC[C@@](O)(C#C[Si](C)(C)C)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C30H38N2O3Si/c1-19-25(7-6-15-31-19)32-28(34)21-9-10-22-20(17-21)8-11-23-24-12-13-30(35,14-16-36(3,4)5)29(24,2)18-26(33)27(22)23/h6-7,9-10,15,17,23-24,26-27,33,35H,8,11-13,18H2,1-5H3,(H,32,34)/t23-,24-,26-,27+,29-,30+/m0/s1
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n/an/an/an/a 47n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...

Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%