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PubMed code 21944381

Compile data set for download or QSAR
Found 42 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))		BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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n/an/a 0.0750n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357083
PNG
(CHEMBL1917414)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 |r,c:13,t:9|
Show InChI InChI=1S/C33H33NO6S2/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,40-29(38)25-7-5-15-39-25)27(37)18-41-30-34-23-6-3-4-8-26(23)42-30/h3-8,11,13,15-16,21-22,24,28,36H,9-10,12,14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357084
PNG
(CHEMBL1917413)
Show SMILES Cc1nc(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)sc1C |r,t:15|
Show InChI InChI=1S/C31H37NO6S2/c1-17-18(2)40-28(32-17)39-16-25(35)31(38-27(36)24-6-5-13-37-24)12-10-22-21-8-7-19-14-20(33)9-11-29(19,3)26(21)23(34)15-30(22,31)4/h5-6,13-14,21-23,26,34H,7-12,15-16H2,1-4H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357093
PNG
(CHEMBL1917251)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1cnc2ccccc2n1 |r,t:9|
Show InChI InChI=1S/C34H36N2O6S/c1-32-13-11-21(37)16-20(32)9-10-22-23-12-14-34(33(23,2)17-26(38)30(22)32,42-31(40)27-8-5-15-41-27)28(39)19-43-29-18-35-24-6-3-4-7-25(24)36-29/h3-8,15-16,18,22-23,26,30,38H,9-14,17,19H2,1-2H3/t22-,23-,26-,30+,32-,33-,34-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357086
PNG
(CHEMBL1917246)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:12,t:8|
Show InChI InChI=1S/C29H31F2NO4S2/c1-15-10-17-18-12-20(30)19-11-16(33)8-9-26(19,2)28(18,31)23(34)13-27(17,3)29(15,36)24(35)14-37-25-32-21-6-4-5-7-22(21)38-25/h4-9,11,15,17-18,20,23,34,36H,10,12-14H2,1-3H3/t15-,17+,18+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357091
PNG
(CHEMBL1917254)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 |r,t:9|
Show InChI InChI=1S/C33H35NO6S2/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,40-29(38)25-7-5-15-39-25)27(37)18-41-30-34-23-6-3-4-8-26(23)42-30/h3-8,15-16,21-22,24,28,36H,9-14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357088
PNG
(CHEMBL1917415)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nccc2ccccc12 |r,c:13,t:9|
Show InChI InChI=1S/C35H35NO6S/c1-33-14-11-23(37)18-22(33)9-10-25-26-12-15-35(34(26,2)19-27(38)30(25)33,42-32(40)28-8-5-17-41-28)29(39)20-43-31-24-7-4-3-6-21(24)13-16-36-31/h3-8,11,13-14,16-18,25-27,30,38H,9-10,12,15,19-20H2,1-2H3/t25-,26-,27-,30+,33-,34-,35-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357087
PNG
(CHEMBL1917416)
Show SMILES Cc1ccnc(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)n1 |r,c:21,t:17|
Show InChI InChI=1S/C31H34N2O6S/c1-18-10-13-32-28(33-18)40-17-25(36)31(39-27(37)24-5-4-14-38-24)12-9-22-21-7-6-19-15-20(34)8-11-29(19,2)26(21)23(35)16-30(22,31)3/h4-5,8,10-11,13-15,21-23,26,35H,6-7,9,12,16-17H2,1-3H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357085
PNG
(CHEMBL1917253)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2o1 |r,t:9|
Show InChI InChI=1S/C33H35NO7S/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,41-29(38)26-8-5-15-39-26)27(37)18-42-30-34-23-6-3-4-7-25(23)40-30/h3-8,15-16,21-22,24,28,36H,9-14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357094
PNG
(CHEMBL1917250)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ccc2ccccc2n1 |r,t:9|
Show InChI InChI=1S/C35H37NO6S/c1-33-15-13-23(37)18-22(33)10-11-24-25-14-16-35(34(25,2)19-27(38)31(24)33,42-32(40)28-8-5-17-41-28)29(39)20-43-30-12-9-21-6-3-4-7-26(21)36-30/h3-9,12,17-18,24-25,27,31,38H,10-11,13-16,19-20H2,1-2H3/t24-,25-,27-,31+,33-,34-,35-/m0/s1
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n/an/a 2.85n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357092
PNG
(CHEMBL1917252)
Show SMILES Cn1c(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)nc2ccccc12 |r,t:14|
Show InChI InChI=1S/C34H38N2O6S/c1-32-14-12-21(37)17-20(32)10-11-22-23-13-15-34(33(23,2)18-26(38)29(22)32,42-30(40)27-9-6-16-41-27)28(39)19-43-31-35-24-7-4-5-8-25(24)36(31)3/h4-9,16-17,22-23,26,29,38H,10-15,18-19H2,1-3H3/t22-,23-,26-,29+,32-,33-,34-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357099
PNG
(CHEMBL1917244)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1 |r,c:13,t:9|
Show InChI InChI=1S/C28H31NO4S2/c1-26-11-9-17(30)13-16(26)7-8-18-19-10-12-28(33,27(19,2)14-21(31)24(18)26)23(32)15-34-25-29-20-5-3-4-6-22(20)35-25/h3-6,9,11,13,18-19,21,24,31,33H,7-8,10,12,14-15H2,1-2H3/t18-,19-,21-,24+,26-,27-,28-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357098
PNG
(CHEMBL1917245)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H32FNO4S2/c1-16-12-20-19-9-8-17-13-18(32)10-11-26(17,2)28(19,30)23(33)14-27(20,3)29(16,35)24(34)15-36-25-31-21-6-4-5-7-22(21)37-25/h4-7,10-11,13,16,19-20,23,33,35H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357100
PNG
(CHEMBL1917243)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1 |r,t:10|
Show InChI InChI=1S/C28H32FNO4S2/c1-25-11-9-17(31)13-16(25)7-8-19-18-10-12-27(34,26(18,2)14-22(32)28(19,25)29)23(33)15-35-24-30-20-5-3-4-6-21(20)36-24/h3-6,13,18-19,22,32,34H,7-12,14-15H2,1-2H3/t18-,19-,22-,25-,26-,27-,28-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357101
PNG
(CHEMBL1917242)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1 |r,t:9|
Show InChI InChI=1S/C28H33NO4S2/c1-26-11-9-17(30)13-16(26)7-8-18-19-10-12-28(33,27(19,2)14-21(31)24(18)26)23(32)15-34-25-29-20-5-3-4-6-22(20)35-25/h3-6,13,18-19,21,24,31,33H,7-12,14-15H2,1-2H3/t18-,19-,21-,24+,26-,27-,28-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357097
PNG
(CHEMBL1917247)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H32ClNO4S2/c1-16-12-20-19-9-8-17-13-18(32)10-11-26(17,2)28(19,30)23(33)14-27(20,3)29(16,35)24(34)15-36-25-31-21-6-4-5-7-22(21)37-25/h4-7,10-11,13,16,19-20,23,33,35H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/a 4.95n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357089
PNG
(CHEMBL1917256)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ncccn1 |r,t:9|
Show InChI InChI=1S/C30H34N2O6S/c1-28-10-8-19(33)15-18(28)6-7-20-21-9-11-30(29(21,2)16-22(34)25(20)28,38-26(36)23-5-3-14-37-23)24(35)17-39-27-31-12-4-13-32-27/h3-5,12-15,20-22,25,34H,6-11,16-17H2,1-2H3/t20-,21-,22-,25+,28-,29-,30-/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357086
PNG
(CHEMBL1917246)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:12,t:8|
Show InChI InChI=1S/C29H31F2NO4S2/c1-15-10-17-18-12-20(30)19-11-16(33)8-9-26(19,2)28(18,31)23(34)13-27(17,3)29(15,36)24(35)14-37-25-32-21-6-4-5-7-22(21)38-25/h4-9,11,15,17-18,20,23,34,36H,10,12-14H2,1-3H3/t15-,17+,18+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357090
PNG
(CHEMBL1917255)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ncccc2s1 |r,t:9|
Show InChI InChI=1S/C32H34N2O6S2/c1-30-11-9-19(35)15-18(30)7-8-20-21-10-12-32(31(21,2)16-22(36)26(20)30,40-28(38)23-5-4-14-39-23)25(37)17-41-29-34-27-24(42-29)6-3-13-33-27/h3-6,13-15,20-22,26,36H,7-12,16-17H2,1-2H3/t20-,21-,22-,26+,30-,31-,32-/m0/s1
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n/an/a 14.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357095
PNG
(CHEMBL1917249)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C35H37NO6S/c1-33-14-11-23(37)18-22(33)9-10-25-26-12-15-35(34(26,2)19-27(38)30(25)33,42-32(40)28-8-5-17-41-28)29(39)20-43-31-24-7-4-3-6-21(24)13-16-36-31/h3-8,13,16-18,25-27,30,38H,9-12,14-15,19-20H2,1-2H3/t25-,26-,27-,30+,33-,34-,35-/m0/s1
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n/an/a 15.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357097
PNG
(CHEMBL1917247)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H32ClNO4S2/c1-16-12-20-19-9-8-17-13-18(32)10-11-26(17,2)28(19,30)23(33)14-27(20,3)29(16,35)24(34)15-36-25-31-21-6-4-5-7-22(21)37-25/h4-7,10-11,13,16,19-20,23,33,35H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357098
PNG
(CHEMBL1917245)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H32FNO4S2/c1-16-12-20-19-9-8-17-13-18(32)10-11-26(17,2)28(19,30)23(33)14-27(20,3)29(16,35)24(34)15-36-25-31-21-6-4-5-7-22(21)37-25/h4-7,10-11,13,16,19-20,23,33,35H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357096
PNG
(CHEMBL1917248)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CSc4nc5ccccc5s4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:34,t:38|
Show InChI InChI=1S/C29H33NO4S2/c1-16-12-18-19-9-11-29(34,24(33)15-35-26-30-21-6-4-5-7-23(21)36-26)28(19,3)14-22(32)25(18)27(2)10-8-17(31)13-20(16)27/h4-8,10,13,16,18-19,22,25,32,34H,9,11-12,14-15H2,1-3H3/t16-,18-,19-,22-,25+,27-,28-,29-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357100
PNG
(CHEMBL1917243)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1 |r,t:10|
Show InChI InChI=1S/C28H32FNO4S2/c1-25-11-9-17(31)13-16(25)7-8-19-18-10-12-27(34,26(18,2)14-22(32)28(19,25)29)23(33)15-35-24-30-20-5-3-4-6-21(20)36-24/h3-6,13,18-19,22,32,34H,7-12,14-15H2,1-2H3/t18-,19-,22-,25-,26-,27-,28-/m0/s1
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n/an/a 18.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357099
PNG
(CHEMBL1917244)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1 |r,c:13,t:9|
Show InChI InChI=1S/C28H31NO4S2/c1-26-11-9-17(30)13-16(26)7-8-18-19-10-12-28(33,27(19,2)14-21(31)24(18)26)23(32)15-34-25-29-20-5-3-4-6-22(20)35-25/h3-6,9,11,13,18-19,21,24,31,33H,7-8,10,12,14-15H2,1-2H3/t18-,19-,21-,24+,26-,27-,28-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357101
PNG
(CHEMBL1917242)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1 |r,t:9|
Show InChI InChI=1S/C28H33NO4S2/c1-26-11-9-17(30)13-16(26)7-8-18-19-10-12-28(33,27(19,2)14-21(31)24(18)26)23(32)15-34-25-29-20-5-3-4-6-22(20)35-25/h3-6,13,18-19,21,24,31,33H,7-12,14-15H2,1-2H3/t18-,19-,21-,24+,26-,27-,28-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357096
PNG
(CHEMBL1917248)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CSc4nc5ccccc5s4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:34,t:38|
Show InChI InChI=1S/C29H33NO4S2/c1-16-12-18-19-9-11-29(34,24(33)15-35-26-30-21-6-4-5-7-23(21)36-26)28(19,3)14-22(32)25(18)27(2)10-8-17(31)13-20(16)27/h4-8,10,13,16,18-19,22,25,32,34H,9,11-12,14-15H2,1-3H3/t16-,18-,19-,22-,25+,27-,28-,29-/m0/s1
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n/an/a 39.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357097
PNG
(CHEMBL1917247)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H32ClNO4S2/c1-16-12-20-19-9-8-17-13-18(32)10-11-26(17,2)28(19,30)23(33)14-27(20,3)29(16,35)24(34)15-36-25-31-21-6-4-5-7-22(21)37-25/h4-7,10-11,13,16,19-20,23,33,35H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50357086
PNG
(CHEMBL1917246)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:12,t:8|
Show InChI InChI=1S/C29H31F2NO4S2/c1-15-10-17-18-12-20(30)19-11-16(33)8-9-26(19,2)28(18,31)23(34)13-27(17,3)29(15,36)24(35)14-37-25-32-21-6-4-5-7-22(21)38-25/h4-9,11,15,17-18,20,23,34,36H,10,12-14H2,1-3H3/t15-,17+,18+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine amino transferase

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357098
PNG
(CHEMBL1917245)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H32FNO4S2/c1-16-12-20-19-9-8-17-13-18(32)10-11-26(17,2)28(19,30)23(33)14-27(20,3)29(16,35)24(34)15-36-25-31-21-6-4-5-7-22(21)37-25/h4-7,10-11,13,16,19-20,23,33,35H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/an/an/a 45.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357087
PNG
(CHEMBL1917416)
Show SMILES Cc1ccnc(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)n1 |r,c:21,t:17|
Show InChI InChI=1S/C31H34N2O6S/c1-18-10-13-32-28(33-18)40-17-25(36)31(39-27(37)24-5-4-14-38-24)12-9-22-21-7-6-19-15-20(34)8-11-29(19,2)26(21)23(35)16-30(22,31)3/h4-5,8,10-11,13-15,21-23,26,35H,6-7,9,12,16-17H2,1-3H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1
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n/an/an/an/a 13.3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357096
PNG
(CHEMBL1917248)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CSc4nc5ccccc5s4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:34,t:38|
Show InChI InChI=1S/C29H33NO4S2/c1-16-12-18-19-9-11-29(34,24(33)15-35-26-30-21-6-4-5-7-23(21)36-26)28(19,3)14-22(32)25(18)27(2)10-8-17(31)13-20(16)27/h4-8,10,13,16,18-19,22,25,32,34H,9,11-12,14-15H2,1-3H3/t16-,18-,19-,22-,25+,27-,28-,29-/m0/s1
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n/an/an/an/a 295n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357085
PNG
(CHEMBL1917253)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2o1 |r,t:9|
Show InChI InChI=1S/C33H35NO7S/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,41-29(38)26-8-5-15-39-26)27(37)18-42-30-34-23-6-3-4-7-25(23)40-30/h3-8,15-16,21-22,24,28,36H,9-14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
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n/an/an/an/a 55.6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine amino transferase

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357086
PNG
(CHEMBL1917246)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:12,t:8|
Show InChI InChI=1S/C29H31F2NO4S2/c1-15-10-17-18-12-20(30)19-11-16(33)8-9-26(19,2)28(18,31)23(34)13-27(17,3)29(15,36)24(35)14-37-25-32-21-6-4-5-7-22(21)38-25/h4-9,11,15,17-18,20,23,34,36H,10,12-14H2,1-3H3/t15-,17+,18+,20+,23+,26+,27+,28+,29+/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50357083
PNG
(CHEMBL1917414)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 |r,c:13,t:9|
Show InChI InChI=1S/C33H33NO6S2/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,40-29(38)25-7-5-15-39-25)27(37)18-41-30-34-23-6-3-4-8-26(23)42-30/h3-8,11,13,15-16,21-22,24,28,36H,9-10,12,14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
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n/an/an/an/a 18.7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine amino transferase

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine amino transferase

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357083
PNG
(CHEMBL1917414)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 |r,c:13,t:9|
Show InChI InChI=1S/C33H33NO6S2/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,40-29(38)25-7-5-15-39-25)27(37)18-41-30-34-23-6-3-4-8-26(23)42-30/h3-8,11,13,15-16,21-22,24,28,36H,9-10,12,14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
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n/an/an/an/a 50.8n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine amino transferase

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357100
PNG
(CHEMBL1917243)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1 |r,t:10|
Show InChI InChI=1S/C28H32FNO4S2/c1-25-11-9-17(31)13-16(25)7-8-19-18-10-12-27(34,26(18,2)14-22(32)28(19,25)29)23(33)15-35-24-30-20-5-3-4-6-21(20)36-24/h3-6,13,18-19,22,32,34H,7-12,14-15H2,1-2H3/t18-,19-,22-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 535n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357084
PNG
(CHEMBL1917413)
Show SMILES Cc1nc(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)sc1C |r,t:15|
Show InChI InChI=1S/C31H37NO6S2/c1-17-18(2)40-28(32-17)39-16-25(35)31(38-27(36)24-6-5-13-37-24)12-10-22-21-8-7-19-14-20(33)9-11-29(19,3)26(21)23(34)15-30(22,31)4/h5-6,13-14,21-23,26,34H,7-12,15-16H2,1-4H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1
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n/an/an/an/a 22.4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine amino transferase

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357088
PNG
(CHEMBL1917415)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nccc2ccccc12 |r,c:13,t:9|
Show InChI InChI=1S/C35H35NO6S/c1-33-14-11-23(37)18-22(33)9-10-25-26-12-15-35(34(26,2)19-27(38)30(25)33,42-32(40)28-8-5-17-41-28)29(39)20-43-31-24-7-4-3-6-21(24)13-16-36-31/h3-8,11,13-14,16-18,25-27,30,38H,9-10,12,15,19-20H2,1-2H3/t25-,26-,27-,30+,33-,34-,35-/m0/s1
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n/an/an/an/a 17.3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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n/an/an/an/a 0.760n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine amino transferase

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50357083
PNG
(CHEMBL1917414)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 |r,c:13,t:9|
Show InChI InChI=1S/C33H33NO6S2/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,40-29(38)25-7-5-15-39-25)27(37)18-41-30-34-23-6-3-4-8-26(23)42-30/h3-8,11,13,15-16,21-22,24,28,36H,9-10,12,14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
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n/an/an/an/a 14.1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay

Bioorg Med Chem Lett 21: 6343-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.108
BindingDB Entry DOI: 10.7270/Q2FF3SRN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%