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Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'barnett' and Initial = 'ha'   
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))
BDBM50417875
PNG
(CHEMBL1668063)
Show SMILES CCN(C[C@](O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3/t25-/m1/s1
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n/an/a 0.0794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417887
PNG
(CHEMBL1668077)
Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
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n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417890
PNG
(CHEMBL1668080)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417889
PNG
(CHEMBL1668079)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NCC(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C28H34N6O3S/c1-17-9-19(3)28(20(4)10-17)38(36,37)33-21(5)14-31-25-11-18(2)12-26-24(25)15-32-34(26)23-8-6-7-22(13-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1
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n/an/a 0.251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417875
PNG
(CHEMBL1668063)
Show SMILES CCN(C[C@](O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3/t25-/m1/s1
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417888
PNG
(CHEMBL1668078)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NC2CC2)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-11-20(3)29(21(4)12-18)37(35,36)33-22(5)16-30-27-13-19(2)14-28-26(27)17-31-34(28)25-8-6-7-24(15-25)32-23-9-10-23/h6-8,11-15,17,22-23,30,32-33H,9-10,16H2,1-5H3/t22-/m0/s1
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417891
PNG
(CHEMBL1668081)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417887
PNG
(CHEMBL1668077)
Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
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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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417888
PNG
(CHEMBL1668078)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NC2CC2)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-11-20(3)29(21(4)12-18)37(35,36)33-22(5)16-30-27-13-19(2)14-28-26(27)17-31-34(28)25-8-6-7-24(15-25)32-23-9-10-23/h6-8,11-15,17,22-23,30,32-33H,9-10,16H2,1-5H3/t22-/m0/s1
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n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417883
PNG
(CHEMBL1668073)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NC2CC2)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-12-20(3)29(21(4)13-18)37(35,36)33-22(5)16-30-27-14-19(2)15-28-26(27)17-31-34(28)25-10-8-24(9-11-25)32-23-6-7-23/h8-15,17,22-23,30,32-33H,6-7,16H2,1-5H3/t22-/m0/s1
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n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417876
PNG
(CHEMBL1668064)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)30-20(5)14-28-24-12-17(2)13-25-23(24)15-29-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
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n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417891
PNG
(CHEMBL1668081)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22-/m0/s1
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n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417890
PNG
(CHEMBL1668080)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417879
PNG
(CHEMBL1668068)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C27H29N5O2S/c1-17-10-19(3)27(20(4)11-17)35(33,34)31-21(5)15-29-25-12-18(2)13-26-24(25)16-30-32(26)23-8-6-22(14-28)7-9-23/h6-13,16,21,29,31H,15H2,1-5H3/t21-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417882
PNG
(CHEMBL1668072)
Show SMILES CC(C)Nc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-8-10-25(11-9-24)34-28-15-20(4)14-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)12-19(3)13-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417896
PNG
(CHEMBL1668086)
Show SMILES CC(C)NC(=O)c1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)C3CC3)cc(C)cc12 |r|
Show InChI InChI=1S/C24H31N5O3S/c1-15(2)27-24(30)18-6-5-7-19(12-18)29-23-11-16(3)10-22(21(23)14-26-29)25-13-17(4)28-33(31,32)20-8-9-20/h5-7,10-12,14-15,17,20,25,28H,8-9,13H2,1-4H3,(H,27,30)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length BRPF1 in human HUT78 cell nuclear/chromatin extract after 45 mins by chemoproteomic competition binding assay


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417889
PNG
(CHEMBL1668079)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NCC(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C28H34N6O3S/c1-17-9-19(3)28(20(4)10-17)38(36,37)33-21(5)14-31-25-11-18(2)12-26-24(25)15-32-34(26)23-8-6-7-22(13-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417900
PNG
(CHEMBL1668090)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N(C)[C@H](C)C(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C25H32N6O4S/c1-15-10-22(27-13-16(2)29-36(34,35)20-8-9-20)21-14-28-31(23(21)11-15)19-7-5-6-18(12-19)25(33)30(4)17(3)24(26)32/h5-7,10-12,14,16-17,20,27,29H,8-9,13H2,1-4H3,(H2,26,32)/t16-,17+/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417902
PNG
(CHEMBL1668089)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N[C@H](C)C(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C24H30N6O4S/c1-14-9-21(26-12-15(2)29-35(33,34)19-7-8-19)20-13-27-30(22(20)10-14)18-6-4-5-17(11-18)24(32)28-16(3)23(25)31/h4-6,9-11,13,15-16,19,26,29H,7-8,12H2,1-3H3,(H2,25,31)(H,28,32)/t15-,16+/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417884
PNG
(CHEMBL1668074)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NCC(N)=O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C28H34N6O3S/c1-17-10-19(3)28(20(4)11-17)38(36,37)33-21(5)14-31-25-12-18(2)13-26-24(25)15-32-34(26)23-8-6-22(7-9-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50254466
PNG
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)
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n/an/a 3.16n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
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 3.98n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417876
PNG
(CHEMBL1668064)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)30-20(5)14-28-24-12-17(2)13-25-23(24)15-29-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189392
PNG
(CHEMBL3828311)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@H]1C |r|
Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417898
PNG
(CHEMBL1668088)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N[C@@H](C)C(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C24H30N6O4S/c1-14-9-21(26-12-15(2)29-35(33,34)19-7-8-19)20-13-27-30(22(20)10-14)18-6-4-5-17(11-18)24(32)28-16(3)23(25)31/h4-6,9-11,13,15-16,19,26,29H,7-8,12H2,1-3H3,(H2,25,31)(H,28,32)/t15-,16-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417879
PNG
(CHEMBL1668068)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C27H29N5O2S/c1-17-10-19(3)27(20(4)11-17)35(33,34)31-21(5)15-29-25-12-18(2)13-26-24(25)16-30-32(26)23-8-6-22(14-28)7-9-23/h6-13,16,21,29,31H,15H2,1-5H3/t21-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417897
PNG
(CHEMBL1668087)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)NCC(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C23H28N6O4S/c1-14-8-20(25-11-15(2)28-34(32,33)18-6-7-18)19-12-27-29(21(19)9-14)17-5-3-4-16(10-17)23(31)26-13-22(24)30/h3-5,8-10,12,15,18,25,28H,6-7,11,13H2,1-2H3,(H2,24,30)(H,26,31)/t15-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417881
PNG
(CHEMBL1668071)
Show SMILES CNc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C27H33N5O2S/c1-17-11-19(3)27(20(4)12-17)35(33,34)31-21(5)15-29-25-13-18(2)14-26-24(25)16-30-32(26)23-9-7-22(28-6)8-10-23/h7-14,16,21,28-29,31H,15H2,1-6H3/t21-/m0/s1
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417880
PNG
(CHEMBL1668069)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C27H32N4O4S2/c1-17-11-19(3)27(20(4)12-17)37(34,35)30-21(5)15-28-25-13-18(2)14-26-24(25)16-29-31(26)22-7-9-23(10-8-22)36(6,32)33/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417891
PNG
(CHEMBL1668081)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417901
PNG
(CHEMBL1668065)
Show SMILES C[C@H](CNS(=O)(=O)c1c(C)cc(C)cc1C)Nc1cc(C)cc2n(ncc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)29-14-20(5)30-24-12-17(2)13-25-23(24)15-28-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,29-30H,14H2,1-5H3/t20-/m1/s1
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50412612
PNG
(CHEMBL518451)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3F4N5O3/c1-2-34(21(37)18-16(25)7-12(24)8-17(18)26)11-22(38,23(28,29)30)10-32-20(36)15-9-33-35(19(15)31)14-5-3-13(27)4-6-14/h3-9,38H,2,10-11,31H2,1H3,(H,32,36)
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Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417887
PNG
(CHEMBL1668077)
Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50412614
PNG
(CHEMBL465919)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C25H24F4N6O3/c1-2-34(23(37)16-3-8-20-15(11-16)9-10-31-20)14-24(38,25(27,28)29)13-32-22(36)19-12-33-35(21(19)30)18-6-4-17(26)5-7-18/h3-12,31,38H,2,13-14,30H2,1H3,(H,32,36)
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n/an/a 6.31n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417883
PNG
(CHEMBL1668073)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NC2CC2)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-12-20(3)29(21(4)13-18)37(35,36)33-22(5)16-30-27-14-19(2)15-28-26(27)17-31-34(28)25-10-8-24(9-11-25)32-23-6-7-23/h8-15,17,22-23,30,32-33H,6-7,16H2,1-5H3/t22-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417885
PNG
(CHEMBL1668075)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(N[C@H](C)C(N)=O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-11-19(3)28(20(4)12-17)39(37,38)34-21(5)15-31-26-13-18(2)14-27-25(26)16-32-35(27)24-9-7-23(8-10-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22+/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417886
PNG
(CHEMBL1668076)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(N[C@@H](C)C(N)=O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-11-19(3)28(20(4)12-17)39(37,38)34-21(5)15-31-26-13-18(2)14-27-25(26)16-32-35(27)24-9-7-23(8-10-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22-/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417877
PNG
(CHEMBL1668066)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-9-18(3)26(19(4)10-16)34(32,33)30-20(5)14-28-24-11-17(2)12-25-23(24)15-29-31(25)22-8-6-7-21(27)13-22/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50254513
PNG
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)
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n/an/a 7.94n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50412609
PNG
(CHEMBL520750)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccc(F)c1Cl
Show InChI InChI=1S/C23H21ClF5N5O3/c1-2-33(21(36)15-4-3-5-17(26)18(15)24)12-22(37,23(27,28)29)11-31-20(35)16-10-32-34(19(16)30)14-8-6-13(25)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)
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n/an/a 7.94n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417883
PNG
(CHEMBL1668073)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NC2CC2)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-12-20(3)29(21(4)13-18)37(35,36)33-22(5)16-30-27-14-19(2)15-28-26(27)17-31-34(28)25-10-8-24(9-11-25)32-23-6-7-23/h8-15,17,22-23,30,32-33H,6-7,16H2,1-5H3/t22-/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417888
PNG
(CHEMBL1668078)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NC2CC2)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-11-20(3)29(21(4)12-18)37(35,36)33-22(5)16-30-27-13-19(2)14-28-26(27)17-31-34(28)25-8-6-7-24(15-25)32-23-9-10-23/h6-8,11-15,17,22-23,30,32-33H,9-10,16H2,1-5H3/t22-/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417897
PNG
(CHEMBL1668087)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)NCC(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C23H28N6O4S/c1-14-8-20(25-11-15(2)28-34(32,33)18-6-7-18)19-12-27-29(21(19)9-14)17-5-3-4-16(10-17)23(31)26-13-22(24)30/h3-5,8-10,12,15,18,25,28H,6-7,11,13H2,1-2H3,(H2,24,30)(H,26,31)/t15-/m0/s1
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GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417895
PNG
(CHEMBL1668085)
Show SMILES CC(C)NC(=O)c1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)C(C)C)cc(C)cc12 |r|
Show InChI InChI=1S/C24H33N5O3S/c1-15(2)27-24(30)19-8-7-9-20(12-19)29-23-11-17(5)10-22(21(23)14-26-29)25-13-18(6)28-33(31,32)16(3)4/h7-12,14-16,18,25,28H,13H2,1-6H3,(H,27,30)/t18-/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417882
PNG
(CHEMBL1668072)
Show SMILES CC(C)Nc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-8-10-25(11-9-24)34-28-15-20(4)14-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)12-19(3)13-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417878
PNG
(CHEMBL1668067)
Show SMILES COc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C27H32N4O3S/c1-17-11-19(3)27(20(4)12-17)35(32,33)30-21(5)15-28-25-13-18(2)14-26-24(25)16-29-31(26)22-7-9-23(34-6)10-8-22/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
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 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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