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PubMed code 22197391

Compile data set for download or QSAR
Found 44 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))		BDBM50362450
PNG
(CHEMBL1940557)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |r,c:11,t:7|
Show InChI InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19-,20+,21+,22+/m1/s1
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n/an/a 1.60n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362458
PNG
(CHEMBL1940694)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1cccc(C)n1 |r,c:11,t:7|
Show InChI InChI=1S/C28H35NO4S/c1-16-12-21-20-9-8-18-13-19(30)10-11-26(18,3)25(20)22(31)14-27(21,4)28(16,33)23(32)15-34-24-7-5-6-17(2)29-24/h5-7,10-11,13,16,20-22,25,31,33H,8-9,12,14-15H2,1-4H3/t16-,20+,21+,22+,25-,26+,27+,28+/m1/s1
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n/an/a 1.69n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362453
PNG
(CHEMBL1940689)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2o1 |r,c:11,t:7|
Show InChI InChI=1S/C29H33NO5S/c1-16-12-20-19-9-8-17-13-18(31)10-11-27(17,2)25(19)22(32)14-28(20,3)29(16,34)24(33)15-36-26-30-21-6-4-5-7-23(21)35-26/h4-7,10-11,13,16,19-20,22,25,32,34H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,22+,25-,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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362462
PNG
(CHEMBL1940698)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nnc(o1)-c1ccccc1 |r,c:11,t:7|
Show InChI InChI=1S/C30H34N2O5S/c1-17-13-22-21-10-9-19-14-20(33)11-12-28(19,2)25(21)23(34)15-29(22,3)30(17,36)24(35)16-38-27-32-31-26(37-27)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,25,34,36H,9-10,13,15-16H2,1-3H3/t17-,21+,22+,23+,25-,28+,29+,30+/m1/s1
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n/an/a 5.10n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362451
PNG
(CHEMBL1940687)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H33NO4S2/c1-16-12-20-19-9-8-17-13-18(31)10-11-27(17,2)25(19)22(32)14-28(20,3)29(16,34)24(33)15-35-26-30-21-6-4-5-7-23(21)36-26/h4-7,10-11,13,16,19-20,22,25,32,34H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,22+,25-,27+,28+,29+/m1/s1
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n/an/a 5.80n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362461
PNG
(CHEMBL1940697)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ncccc2o1 |r,c:11,t:7|
Show InChI InChI=1S/C28H32N2O5S/c1-15-11-19-18-7-6-16-12-17(31)8-9-26(16,2)23(18)20(32)13-27(19,3)28(15,34)22(33)14-36-25-30-24-21(35-25)5-4-10-29-24/h4-5,8-10,12,15,18-20,23,32,34H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,20+,23-,26+,27+,28+/m1/s1
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n/an/a 6n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362459
PNG
(CHEMBL1940695)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2cccnc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C28H32N2O4S2/c1-15-11-19-18-7-6-16-12-17(31)8-9-26(16,2)23(18)21(32)13-27(19,3)28(15,34)22(33)14-35-25-30-20-5-4-10-29-24(20)36-25/h4-5,8-10,12,15,18-19,21,23,32,34H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,23-,26+,27+,28+/m1/s1
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n/an/a 7n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362463
PNG
(CHEMBL1940546)
Show SMILES Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12 |r,c:19,t:15|
Show InChI InChI=1S/C29H34N2O4S/c1-27-12-10-18(32)14-17(27)8-9-19-20-11-13-29(35,28(20,2)15-23(33)25(19)27)24(34)16-36-26-30-21-6-4-5-7-22(21)31(26)3/h4-7,10,12,14,19-20,23,25,33,35H,8-9,11,13,15-16H2,1-3H3/t19-,20-,23-,25+,27-,28-,29-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 7.70n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362466
PNG
(CHEMBL1940548)
Show SMILES Cc1ccnc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)n1 |r,c:22,t:18|
Show InChI InChI=1S/C26H32N2O4S/c1-15-8-11-27-23(28-15)33-14-21(31)26(32)10-7-19-18-5-4-16-12-17(29)6-9-24(16,2)22(18)20(30)13-25(19,26)3/h6,8-9,11-12,18-20,22,30,32H,4-5,7,10,13-14H2,1-3H3/t18-,19-,20-,22+,24-,25-,26-/m0/s1
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n/an/a 11.4n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362468
PNG
(CHEMBL1940550)
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)CSc1nc2ccccc2o1 |r,c:13,t:9|
Show InChI InChI=1S/C28H31NO5S/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)15-35-25-29-20-5-3-4-6-22(20)34-25/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 13.5n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362450
PNG
(CHEMBL1940557)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |r,c:11,t:7|
Show InChI InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19-,20+,21+,22+/m1/s1
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n/an/a 15.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl py...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362469
PNG
(CHEMBL1940551)
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)CSc1nc2ncccc2o1 |r,c:13,t:9|
Show InChI InChI=1S/C27H30N2O5S/c1-25-9-7-16(30)12-15(25)5-6-17-18-8-10-27(33,26(18,2)13-19(31)22(17)25)21(32)14-35-24-29-23-20(34-24)4-3-11-28-23/h3-4,7,9,11-12,17-19,22,31,33H,5-6,8,10,13-14H2,1-2H3/t17-,18-,19-,22+,25-,26-,27-/m0/s1
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n/an/a 17.2n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362454
PNG
(CHEMBL1940690)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nccc2ccccc12 |r,c:11,t:7|
Show InChI InChI=1S/C31H35NO4S/c1-18-14-24-23-9-8-20-15-21(33)10-12-29(20,2)27(23)25(34)16-30(24,3)31(18,36)26(35)17-37-28-22-7-5-4-6-19(22)11-13-32-28/h4-7,10-13,15,18,23-25,27,34,36H,8-9,14,16-17H2,1-3H3/t18-,23+,24+,25+,27-,29+,30+,31+/m1/s1
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n/an/a 17.6n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362455
PNG
(CHEMBL1940691)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1ccc2ccccc2n1 |r,c:11,t:7|
Show InChI InChI=1S/C31H35NO4S/c1-18-14-23-22-10-9-20-15-21(33)12-13-29(20,2)28(22)25(34)16-30(23,3)31(18,36)26(35)17-37-27-11-8-19-6-4-5-7-24(19)32-27/h4-8,11-13,15,18,22-23,25,28,34,36H,9-10,14,16-17H2,1-3H3/t18-,22+,23+,25+,28-,29+,30+,31+/m1/s1
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n/an/a 19.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362457
PNG
(CHEMBL1940693)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1ncnc2ccccc12 |r,c:11,t:7|
Show InChI InChI=1S/C30H34N2O4S/c1-17-12-22-20-9-8-18-13-19(33)10-11-28(18,2)26(20)24(34)14-29(22,3)30(17,36)25(35)15-37-27-21-6-4-5-7-23(21)31-16-32-27/h4-7,10-11,13,16-17,20,22,24,26,34,36H,8-9,12,14-15H2,1-3H3/t17-,20+,22+,24+,26-,28+,29+,30+/m1/s1
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n/an/a 23.5n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362459
PNG
(CHEMBL1940695)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2cccnc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C28H32N2O4S2/c1-15-11-19-18-7-6-16-12-17(31)8-9-26(16,2)23(18)21(32)13-27(19,3)28(15,34)22(33)14-35-25-30-20-5-4-10-29-24(20)36-25/h4-5,8-10,12,15,18-19,21,23,32,34H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,23-,26+,27+,28+/m1/s1
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n/an/a 24.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362460
PNG
(CHEMBL1940696)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2[nH]1 |r,c:11,t:7|
Show InChI InChI=1S/C29H34N2O4S/c1-16-12-20-19-9-8-17-13-18(32)10-11-27(17,2)25(19)23(33)14-28(20,3)29(16,35)24(34)15-36-26-30-21-6-4-5-7-22(21)31-26/h4-7,10-11,13,16,19-20,23,25,33,35H,8-9,12,14-15H2,1-3H3,(H,30,31)/t16-,19+,20+,23+,25-,27+,28+,29+/m1/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362456
PNG
(CHEMBL1940692)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1cnc2ccccc2n1 |r,c:11,t:7|
Show InChI InChI=1S/C30H34N2O4S/c1-17-12-21-20-9-8-18-13-19(33)10-11-28(18,2)27(20)24(34)14-29(21,3)30(17,36)25(35)16-37-26-15-31-22-6-4-5-7-23(22)32-26/h4-7,10-11,13,15,17,20-21,24,27,34,36H,8-9,12,14,16H2,1-3H3/t17-,20+,21+,24+,27-,28+,29+,30+/m1/s1
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n/an/a 37.9n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362472
PNG
(CHEMBL1940555)
Show SMILES CCn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12 |r,c:20,t:16|
Show InChI InChI=1S/C30H36N2O4S/c1-4-32-23-8-6-5-7-22(23)31-27(32)37-17-25(35)30(36)14-12-21-20-10-9-18-15-19(33)11-13-28(18,2)26(20)24(34)16-29(21,30)3/h5-8,11,13,15,20-21,24,26,34,36H,4,9-10,12,14,16-17H2,1-3H3/t20-,21-,24-,26+,28-,29-,30-/m0/s1
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n/an/a 41.3n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362465
PNG
(CHEMBL1940552)
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)CSc1ccccn1 |r,c:13,t:9|
Show InChI InChI=1S/C26H31NO4S/c1-24-10-8-17(28)13-16(24)6-7-18-19-9-11-26(31,25(19,2)14-20(29)23(18)24)21(30)15-32-22-5-3-4-12-27-22/h3-5,8,10,12-13,18-20,23,29,31H,6-7,9,11,14-15H2,1-2H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
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n/an/a 43.8n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362455
PNG
(CHEMBL1940691)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1ccc2ccccc2n1 |r,c:11,t:7|
Show InChI InChI=1S/C31H35NO4S/c1-18-14-23-22-10-9-20-15-21(33)12-13-29(20,2)28(22)25(34)16-30(23,3)31(18,36)26(35)17-37-27-11-8-19-6-4-5-7-24(19)32-27/h4-8,11-13,15,18,22-23,25,28,34,36H,9-10,14,16-17H2,1-3H3/t18-,22+,23+,25+,28-,29+,30+,31+/m1/s1
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n/an/a 46.5n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362463
PNG
(CHEMBL1940546)
Show SMILES Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12 |r,c:19,t:15|
Show InChI InChI=1S/C29H34N2O4S/c1-27-12-10-18(32)14-17(27)8-9-19-20-11-13-29(35,28(20,2)15-23(33)25(19)27)24(34)16-36-26-30-21-6-4-5-7-22(21)31(26)3/h4-7,10,12,14,19-20,23,25,33,35H,8-9,11,13,15-16H2,1-3H3/t19-,20-,23-,25+,27-,28-,29-/m0/s1
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n/an/a 47n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362471
PNG
(CHEMBL1940554)
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)CSc1nc2ncccc2[nH]1 |r,c:13,t:9|
Show InChI InChI=1S/C27H31N3O4S/c1-25-9-7-16(31)12-15(25)5-6-17-18-8-10-27(34,26(18,2)13-20(32)22(17)25)21(33)14-35-24-29-19-4-3-11-28-23(19)30-24/h3-4,7,9,11-12,17-18,20,22,32,34H,5-6,8,10,13-14H2,1-2H3,(H,28,29,30)/t17-,18-,20-,22+,25-,26-,27-/m0/s1
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n/an/a 57.2n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 65.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362467
PNG
(CHEMBL1940549)
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)CSc1ncc2ccccc2n1 |r,c:13,t:9|
Show InChI InChI=1S/C29H32N2O4S/c1-27-11-9-19(32)13-18(27)7-8-20-21-10-12-29(35,28(21,2)14-23(33)25(20)27)24(34)16-36-26-30-15-17-5-3-4-6-22(17)31-26/h3-6,9,11,13,15,20-21,23,25,33,35H,7-8,10,12,14,16H2,1-2H3/t20-,21-,23-,25+,27-,28-,29-/m0/s1
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n/an/a 68.7n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362452
PNG
(CHEMBL1940688)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2n1C |r,c:11,t:7|
Show InChI InChI=1S/C30H36N2O4S/c1-17-13-21-20-10-9-18-14-19(33)11-12-28(18,2)26(20)24(34)15-29(21,3)30(17,36)25(35)16-37-27-31-22-7-5-6-8-23(22)32(27)4/h5-8,11-12,14,17,20-21,24,26,34,36H,9-10,13,15-16H2,1-4H3/t17-,20+,21+,24+,26-,28+,29+,30+/m1/s1
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n/an/a 69.3n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362464
PNG
(CHEMBL1940547)
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)CSc1ccc2ccccc2n1 |r,c:13,t:9|
Show InChI InChI=1S/C30H33NO4S/c1-28-13-11-20(32)15-19(28)8-9-21-22-12-14-30(35,29(22,2)16-24(33)27(21)28)25(34)17-36-26-10-7-18-5-3-4-6-23(18)31-26/h3-7,10-11,13,15,21-22,24,27,33,35H,8-9,12,14,16-17H2,1-2H3/t21-,22-,24-,27+,28-,29-,30-/m0/s1
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n/an/a 70.2n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362462
PNG
(CHEMBL1940698)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nnc(o1)-c1ccccc1 |r,c:11,t:7|
Show InChI InChI=1S/C30H34N2O5S/c1-17-13-22-21-10-9-19-14-20(33)11-12-28(19,2)25(21)23(34)15-29(22,3)30(17,36)24(35)16-38-27-32-31-26(37-27)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,25,34,36H,9-10,13,15-16H2,1-3H3/t17-,21+,22+,23+,25-,28+,29+,30+/m1/s1
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n/an/a 80.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl py...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362470
PNG
(CHEMBL1940553)
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)CSc1nc2cccnc2s1 |r,c:13,t:9|
Show InChI InChI=1S/C27H30N2O4S2/c1-25-9-7-16(30)12-15(25)5-6-17-18-8-10-27(33,26(18,2)13-20(31)22(17)25)21(32)14-34-24-29-19-4-3-11-28-23(19)35-24/h3-4,7,9,11-12,17-18,20,22,31,33H,5-6,8,10,13-14H2,1-2H3/t17-,18-,20-,22+,25-,26-,27-/m0/s1
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n/an/a 118n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362461
PNG
(CHEMBL1940697)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ncccc2o1 |r,c:11,t:7|
Show InChI InChI=1S/C28H32N2O5S/c1-15-11-19-18-7-6-16-12-17(31)8-9-26(16,2)23(18)20(32)13-27(19,3)28(15,34)22(33)14-36-25-30-24-21(35-25)5-4-10-29-24/h4-5,8-10,12,15,18-20,23,32,34H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,20+,23-,26+,27+,28+/m1/s1
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n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362451
PNG
(CHEMBL1940687)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H33NO4S2/c1-16-12-20-19-9-8-17-13-18(31)10-11-27(17,2)25(19)22(32)14-28(20,3)29(16,34)24(33)15-35-26-30-21-6-4-5-7-23(21)36-26/h4-7,10-11,13,16,19-20,22,25,32,34H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,22+,25-,27+,28+,29+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362463
PNG
(CHEMBL1940546)
Show SMILES Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12 |r,c:19,t:15|
Show InChI InChI=1S/C29H34N2O4S/c1-27-12-10-18(32)14-17(27)8-9-19-20-11-13-29(35,28(20,2)15-23(33)25(19)27)24(34)16-36-26-30-21-6-4-5-7-22(21)31(26)3/h4-7,10,12,14,19-20,23,25,33,35H,8-9,11,13,15-16H2,1-3H3/t19-,20-,23-,25+,27-,28-,29-/m0/s1
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n/an/a 235n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362465
PNG
(CHEMBL1940552)
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)CSc1ccccn1 |r,c:13,t:9|
Show InChI InChI=1S/C26H31NO4S/c1-24-10-8-17(28)13-16(24)6-7-18-19-9-11-26(31,25(19,2)14-20(29)23(18)24)21(30)15-32-22-5-3-4-12-27-22/h3-5,8,10,12-13,18-20,23,29,31H,6-7,9,11,14-15H2,1-2H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
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n/an/a 238n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl py...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362464
PNG
(CHEMBL1940547)
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)CSc1ccc2ccccc2n1 |r,c:13,t:9|
Show InChI InChI=1S/C30H33NO4S/c1-28-13-11-20(32)15-19(28)8-9-21-22-12-14-30(35,29(22,2)16-24(33)27(21)28)25(34)17-36-26-10-7-18-5-3-4-6-23(18)31-26/h3-7,10-11,13,15,21-22,24,27,33,35H,8-9,12,14,16-17H2,1-2H3/t21-,22-,24-,27+,28-,29-,30-/m0/s1
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n/an/a 262n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl py...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362473
PNG
(CHEMBL1940556)
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)CSc1nc(cs1)-c1ccccc1 |r,c:13,t:9|
Show InChI InChI=1S/C30H33NO4S2/c1-28-12-10-20(32)14-19(28)8-9-21-22-11-13-30(35,29(22,2)15-24(33)26(21)28)25(34)17-37-27-31-23(16-36-27)18-6-4-3-5-7-18/h3-7,10,12,14,16,21-22,24,26,33,35H,8-9,11,13,15,17H2,1-2H3/t21-,22-,24-,26+,28-,29-,30-/m0/s1
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n/an/a 305n/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-8 production

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl py...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362464
PNG
(CHEMBL1940547)
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)CSc1ccc2ccccc2n1 |r,c:13,t:9|
Show InChI InChI=1S/C30H33NO4S/c1-28-13-11-20(32)15-19(28)8-9-21-22-12-14-30(35,29(22,2)16-24(33)27(21)28)25(34)17-36-26-10-7-18-5-3-4-6-23(18)31-26/h3-7,10-11,13,15,21-22,24,27,33,35H,8-9,12,14,16-17H2,1-2H3/t21-,22-,24-,27+,28-,29-,30-/m0/s1
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n/an/a 361n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362465
PNG
(CHEMBL1940552)
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)CSc1ccccn1 |r,c:13,t:9|
Show InChI InChI=1S/C26H31NO4S/c1-24-10-8-17(28)13-16(24)6-7-18-19-9-11-26(31,25(19,2)14-20(29)23(18)24)21(30)15-32-22-5-3-4-12-27-22/h3-5,8,10,12-13,18-20,23,29,31H,6-7,9,11,14-15H2,1-2H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
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n/an/a 707n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362459
PNG
(CHEMBL1940695)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2cccnc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C28H32N2O4S2/c1-15-11-19-18-7-6-16-12-17(31)8-9-26(16,2)23(18)21(32)13-27(19,3)28(15,34)22(33)14-35-25-30-20-5-4-10-29-24(20)36-25/h4-5,8-10,12,15,18-19,21,23,32,34H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,23-,26+,27+,28+/m1/s1
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n/an/a 722n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl py...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50362462
PNG
(CHEMBL1940698)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nnc(o1)-c1ccccc1 |r,c:11,t:7|
Show InChI InChI=1S/C30H34N2O5S/c1-17-13-22-21-10-9-19-14-20(33)11-12-28(19,2)25(21)23(34)15-29(22,3)30(17,36)24(35)16-38-27-32-31-26(37-27)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,25,34,36H,9-10,13,15-16H2,1-3H3/t17-,21+,22+,23+,25-,28+,29+,30+/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruv...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50362451
PNG
(CHEMBL1940687)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:11,t:7|
Show InChI InChI=1S/C29H33NO4S2/c1-16-12-20-19-9-8-17-13-18(31)10-11-27(17,2)25(19)22(32)14-28(20,3)29(16,34)24(33)15-35-26-30-21-6-4-5-7-23(21)36-26/h4-7,10-11,13,16,19-20,22,25,32,34H,8-9,12,14-15H2,1-3H3/t16-,19+,20+,22+,25-,27+,28+,29+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl py...

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50362463
PNG
(CHEMBL1940546)
Show SMILES Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12 |r,c:19,t:15|
Show InChI InChI=1S/C29H34N2O4S/c1-27-12-10-18(32)14-17(27)8-9-19-20-11-13-29(35,28(20,2)15-23(33)25(19)27)24(34)16-36-26-30-21-6-4-5-7-22(21)31(26)3/h4-7,10,12,14,19-20,23,25,33,35H,8-9,11,13,15-16H2,1-3H3/t19-,20-,23-,25+,27-,28-,29-/m0/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor

Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%