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PubMed code 15261265

Compile data set for download or QSAR
Found 38 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))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150333
PNG
(CHEMBL183510 | N-[3-(Benzyl-{4-[4-((1R,3S)-4-hydro...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H]3C[C@@H](O)CC(=O)O3)cc2)cc1
Show InChI InChI=1S/C34H36N2O7S/c1-24-32(35-44(2,39)40)9-6-10-33(24)36(21-25-7-4-3-5-8-25)22-26-11-13-29(14-12-26)42-30-17-15-28(16-18-30)41-23-31-19-27(37)20-34(38)43-31/h3-18,27,31,35,37H,19-23H2,1-2H3/t27-,31+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150340
PNG
((3R,5S)-6-[4-(4-{[Benzyl-(3-methanesulfonylamino-2...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc2)cc1
Show InChI InChI=1S/C34H38N2O8S/c1-24-32(35-45(2,41)42)9-6-10-33(24)36(21-25-7-4-3-5-8-25)22-26-11-13-30(14-12-26)44-31-17-15-29(16-18-31)43-23-28(38)19-27(37)20-34(39)40/h3-18,27-28,35,37-38H,19-23H2,1-2H3,(H,39,40)/t27-,28+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150336
PNG
((4R,6S)-4-Hydroxy-6-({[4-((8S,11R,13S,14S,17S)-17-...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H]1C[C@@H](O)CC(=O)O1 |c:18,t:11|
Show InChI InChI=1S/C34H41NO5/c1-4-14-34(39)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26-17-25(37)18-31(38)40-26/h5-6,8-9,16,25-26,28-30,37,39H,7,10-13,15,17-20H2,1-3H3/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150321
PNG
(CHEMBL182610 | N-{3-[Benzyl-(4-phenoxy-benzyl)-ami...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O3S/c1-22-27(29-34(2,31)32)14-9-15-28(22)30(20-23-10-5-3-6-11-23)21-24-16-18-26(19-17-24)33-25-12-7-4-8-13-25/h3-19,29H,20-21H2,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))		BDBM50150336
PNG
((4R,6S)-4-Hydroxy-6-({[4-((8S,11R,13S,14S,17S)-17-...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H]1C[C@@H](O)CC(=O)O1 |c:18,t:11|
Show InChI InChI=1S/C34H41NO5/c1-4-14-34(39)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26-17-25(37)18-31(38)40-26/h5-6,8-9,16,25-26,28-30,37,39H,7,10-13,15,17-20H2,1-3H3/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150337
PNG
((R)-5-(S)-Hydroxy-3-hydroxy-6-{[4-((8S,11R,13S,14S...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C34H43NO6/c1-4-14-34(41)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26(38)17-25(37)18-31(39)40/h5-6,8-9,16,25-26,28-30,37-38,41H,7,10-13,15,17-20H2,1-3H3,(H,39,40)/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150332
PNG
((S)-3,5-Dihydroxy-6-[4-((8S,11R,13S,14S,17S)-17-hy...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc1 |c:18,t:11|
Show InChI InChI=1S/C33H40O7/c1-3-13-33(39)14-12-29-27-10-6-21-15-22(34)7-11-26(21)31(27)28(18-32(29,33)2)20-4-8-25(9-5-20)40-19-24(36)16-23(35)17-30(37)38/h4-5,8-9,15,23-24,27-29,35-36,39H,6-7,10-12,14,16-19H2,1-2H3,(H,37,38)/t23-,24+,27+,28-,29+,32+,33+/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150335
PNG
((2R,4S)-6-[3-(4-{[(2,4-Difluoro-benzyl)-(3-methane...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2cccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C34H36F2N2O8S/c1-22-32(37-47(2,43)44)7-4-8-33(22)38(20-24-11-12-25(35)15-31(24)36)19-23-9-13-28(14-10-23)46-30-6-3-5-29(18-30)45-21-27(40)16-26(39)17-34(41)42/h3-15,18,26-27,37,39-40H,16-17,19-21H2,1-2H3,(H,41,42)/t26-,27+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150337
PNG
((R)-5-(S)-Hydroxy-3-hydroxy-6-{[4-((8S,11R,13S,14S...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C34H43NO6/c1-4-14-34(41)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26(38)17-25(37)18-31(39)40/h5-6,8-9,16,25-26,28-30,37-38,41H,7,10-13,15,17-20H2,1-3H3,(H,39,40)/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150338
PNG
(CHEMBL181604 | N-{3-[(2,4-Difluoro-benzyl)-(4-phen...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccccc2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C28H26F2N2O3S/c1-20-27(31-36(2,33)34)9-6-10-28(20)32(19-22-13-14-23(29)17-26(22)30)18-21-11-15-25(16-12-21)35-24-7-4-3-5-8-24/h3-17,31H,18-19H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150336
PNG
((4R,6S)-4-Hydroxy-6-({[4-((8S,11R,13S,14S,17S)-17-...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H]1C[C@@H](O)CC(=O)O1 |c:18,t:11|
Show InChI InChI=1S/C34H41NO5/c1-4-14-34(39)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26-17-25(37)18-31(38)40-26/h5-6,8-9,16,25-26,28-30,37,39H,7,10-13,15,17-20H2,1-3H3/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150334
PNG
(CHEMBL182058 | N-[3-((2,4-Difluoro-benzyl)-{4-[3-(...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2cccc(OC[C@@H]3C[C@@H](O)CC(=O)O3)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C34H34F2N2O7S/c1-22-32(37-46(2,41)42)7-4-8-33(22)38(20-24-11-12-25(35)15-31(24)36)19-23-9-13-27(14-10-23)44-29-6-3-5-28(18-29)43-21-30-16-26(39)17-34(40)45-30/h3-15,18,26,30,37,39H,16-17,19-21H2,1-2H3/t26-,30+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50150337
PNG
((R)-5-(S)-Hydroxy-3-hydroxy-6-{[4-((8S,11R,13S,14S...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C34H43NO6/c1-4-14-34(41)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26(38)17-25(37)18-31(39)40/h5-6,8-9,16,25-26,28-30,37-38,41H,7,10-13,15,17-20H2,1-3H3,(H,39,40)/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150339
PNG
((S)-3-Hydroxy-4-{[4-((8S,11R,13S,14S,17S)-17-hydro...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C32H39NO5/c1-4-14-32(38)15-13-28-26-11-7-21-16-23(34)10-12-25(21)30(26)27(18-31(28,32)2)20-5-8-22(9-6-20)33(3)19-24(35)17-29(36)37/h5-6,8-9,16,24,26-28,35,38H,7,10-13,15,17-19H2,1-3H3,(H,36,37)/t24-,26-,27+,28-,31-,32-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50150332
PNG
((S)-3,5-Dihydroxy-6-[4-((8S,11R,13S,14S,17S)-17-hy...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc1 |c:18,t:11|
Show InChI InChI=1S/C33H40O7/c1-3-13-33(39)14-12-29-27-10-6-21-15-22(34)7-11-26(21)31(27)28(18-32(29,33)2)20-4-8-25(9-5-20)40-19-24(36)16-23(35)17-30(37)38/h4-5,8-9,15,23-24,27-29,35-36,39H,6-7,10-12,14,16-19H2,1-2H3,(H,37,38)/t23-,24+,27+,28-,29+,32+,33+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150339
PNG
((S)-3-Hydroxy-4-{[4-((8S,11R,13S,14S,17S)-17-hydro...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C32H39NO5/c1-4-14-32(38)15-13-28-26-11-7-21-16-23(34)10-12-25(21)30(26)27(18-31(28,32)2)20-5-8-22(9-6-20)33(3)19-24(35)17-29(36)37/h5-6,8-9,16,24,26-28,35,38H,7,10-13,15,17-19H2,1-3H3,(H,36,37)/t24-,26-,27+,28-,31-,32-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150337
PNG
((R)-5-(S)-Hydroxy-3-hydroxy-6-{[4-((8S,11R,13S,14S...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C34H43NO6/c1-4-14-34(41)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26(38)17-25(37)18-31(39)40/h5-6,8-9,16,25-26,28-30,37-38,41H,7,10-13,15,17-20H2,1-3H3,(H,39,40)/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150336
PNG
((4R,6S)-4-Hydroxy-6-({[4-((8S,11R,13S,14S,17S)-17-...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H]1C[C@@H](O)CC(=O)O1 |c:18,t:11|
Show InChI InChI=1S/C34H41NO5/c1-4-14-34(39)15-13-30-28-11-7-22-16-24(36)10-12-27(22)32(28)29(19-33(30,34)2)21-5-8-23(9-6-21)35(3)20-26-17-25(37)18-31(38)40-26/h5-6,8-9,16,25-26,28-30,37,39H,7,10-13,15,17-20H2,1-3H3/t25-,26+,28+,29-,30+,33+,34+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50150339
PNG
((S)-3-Hydroxy-4-{[4-((8S,11R,13S,14S,17S)-17-hydro...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C32H39NO5/c1-4-14-32(38)15-13-28-26-11-7-21-16-23(34)10-12-25(21)30(26)27(18-31(28,32)2)20-5-8-22(9-6-20)33(3)19-24(35)17-29(36)37/h5-6,8-9,16,24,26-28,35,38H,7,10-13,15,17-19H2,1-3H3,(H,36,37)/t24-,26-,27+,28-,31-,32-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150339
PNG
((S)-3-Hydroxy-4-{[4-((8S,11R,13S,14S,17S)-17-hydro...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)CC(O)=O |c:18,t:11|
Show InChI InChI=1S/C32H39NO5/c1-4-14-32(38)15-13-28-26-11-7-21-16-23(34)10-12-25(21)30(26)27(18-31(28,32)2)20-5-8-22(9-6-20)33(3)19-24(35)17-29(36)37/h5-6,8-9,16,24,26-28,35,38H,7,10-13,15,17-19H2,1-3H3,(H,36,37)/t24-,26-,27+,28-,31-,32-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150321
PNG
(CHEMBL182610 | N-{3-[Benzyl-(4-phenoxy-benzyl)-ami...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O3S/c1-22-27(29-34(2,31)32)14-9-15-28(22)30(20-23-10-5-3-6-11-23)21-24-16-18-26(19-17-24)33-25-12-7-4-8-13-25/h3-19,29H,20-21H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150340
PNG
((3R,5S)-6-[4-(4-{[Benzyl-(3-methanesulfonylamino-2...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc2)cc1
Show InChI InChI=1S/C34H38N2O8S/c1-24-32(35-45(2,41)42)9-6-10-33(24)36(21-25-7-4-3-5-8-25)22-26-11-13-30(14-12-26)44-31-17-15-29(16-18-31)43-23-28(38)19-27(37)20-34(39)40/h3-18,27-28,35,37-38H,19-23H2,1-2H3,(H,39,40)/t27-,28+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150338
PNG
(CHEMBL181604 | N-{3-[(2,4-Difluoro-benzyl)-(4-phen...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccccc2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C28H26F2N2O3S/c1-20-27(31-36(2,33)34)9-6-10-28(20)32(19-22-13-14-23(29)17-26(22)30)18-21-11-15-25(16-12-21)35-24-7-4-3-5-8-24/h3-17,31H,18-19H2,1-2H3
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n/an/a 385n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150333
PNG
(CHEMBL183510 | N-[3-(Benzyl-{4-[4-((1R,3S)-4-hydro...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H]3C[C@@H](O)CC(=O)O3)cc2)cc1
Show InChI InChI=1S/C34H36N2O7S/c1-24-32(35-44(2,39)40)9-6-10-33(24)36(21-25-7-4-3-5-8-25)22-26-11-13-29(14-12-26)42-30-17-15-28(16-18-30)41-23-31-19-27(37)20-34(38)43-31/h3-18,27,31,35,37H,19-23H2,1-2H3/t27-,31+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150332
PNG
((S)-3,5-Dihydroxy-6-[4-((8S,11R,13S,14S,17S)-17-hy...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc1 |c:18,t:11|
Show InChI InChI=1S/C33H40O7/c1-3-13-33(39)14-12-29-27-10-6-21-15-22(34)7-11-26(21)31(27)28(18-32(29,33)2)20-4-8-25(9-5-20)40-19-24(36)16-23(35)17-30(37)38/h4-5,8-9,15,23-24,27-29,35-36,39H,6-7,10-12,14,16-19H2,1-2H3,(H,37,38)/t23-,24+,27+,28-,29+,32+,33+/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150334
PNG
(CHEMBL182058 | N-[3-((2,4-Difluoro-benzyl)-{4-[3-(...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2cccc(OC[C@@H]3C[C@@H](O)CC(=O)O3)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C34H34F2N2O7S/c1-22-32(37-46(2,41)42)7-4-8-33(22)38(20-24-11-12-25(35)15-31(24)36)19-23-9-13-27(14-10-23)44-29-6-3-5-28(18-29)43-21-30-16-26(39)17-34(40)45-30/h3-15,18,26,30,37,39H,16-17,19-21H2,1-2H3/t26-,30+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150335
PNG
((2R,4S)-6-[3-(4-{[(2,4-Difluoro-benzyl)-(3-methane...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2cccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C34H36F2N2O8S/c1-22-32(37-47(2,43)44)7-4-8-33(22)38(20-24-11-12-25(35)15-31(24)36)19-23-9-13-28(14-10-23)46-30-6-3-5-29(18-30)45-21-27(40)16-26(39)17-34(41)42/h3-15,18,26-27,37,39-40H,16-17,19-21H2,1-2H3,(H,41,42)/t26-,27+/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50150332
PNG
((S)-3,5-Dihydroxy-6-[4-((8S,11R,13S,14S,17S)-17-hy...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc1 |c:18,t:11|
Show InChI InChI=1S/C33H40O7/c1-3-13-33(39)14-12-29-27-10-6-21-15-22(34)7-11-26(21)31(27)28(18-32(29,33)2)20-4-8-25(9-5-20)40-19-24(36)16-23(35)17-30(37)38/h4-5,8-9,15,23-24,27-29,35-36,39H,6-7,10-12,14,16-19H2,1-2H3,(H,37,38)/t23-,24+,27+,28-,29+,32+,33+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150334
PNG
(CHEMBL182058 | N-[3-((2,4-Difluoro-benzyl)-{4-[3-(...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2cccc(OC[C@@H]3C[C@@H](O)CC(=O)O3)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C34H34F2N2O7S/c1-22-32(37-46(2,41)42)7-4-8-33(22)38(20-24-11-12-25(35)15-31(24)36)19-23-9-13-27(14-10-23)44-29-6-3-5-28(18-29)43-21-30-16-26(39)17-34(40)45-30/h3-15,18,26,30,37,39H,16-17,19-21H2,1-2H3/t26-,30+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150333
PNG
(CHEMBL183510 | N-[3-(Benzyl-{4-[4-((1R,3S)-4-hydro...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H]3C[C@@H](O)CC(=O)O3)cc2)cc1
Show InChI InChI=1S/C34H36N2O7S/c1-24-32(35-44(2,39)40)9-6-10-33(24)36(21-25-7-4-3-5-8-25)22-26-11-13-29(14-12-26)42-30-17-15-28(16-18-30)41-23-31-19-27(37)20-34(38)43-31/h3-18,27,31,35,37H,19-23H2,1-2H3/t27-,31+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150321
PNG
(CHEMBL182610 | N-{3-[Benzyl-(4-phenoxy-benzyl)-ami...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O3S/c1-22-27(29-34(2,31)32)14-9-15-28(22)30(20-23-10-5-3-6-11-23)21-24-16-18-26(19-17-24)33-25-12-7-4-8-13-25/h3-19,29H,20-21H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150335
PNG
((2R,4S)-6-[3-(4-{[(2,4-Difluoro-benzyl)-(3-methane...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2cccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C34H36F2N2O8S/c1-22-32(37-47(2,43)44)7-4-8-33(22)38(20-24-11-12-25(35)15-31(24)36)19-23-9-13-28(14-10-23)46-30-6-3-5-29(18-30)45-21-27(40)16-26(39)17-34(41)42/h3-15,18,26-27,37,39-40H,16-17,19-21H2,1-2H3,(H,41,42)/t26-,27+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150340
PNG
((3R,5S)-6-[4-(4-{[Benzyl-(3-methanesulfonylamino-2...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc2)cc1
Show InChI InChI=1S/C34H38N2O8S/c1-24-32(35-45(2,41)42)9-6-10-33(24)36(21-25-7-4-3-5-8-25)22-26-11-13-30(14-12-26)44-31-17-15-29(16-18-31)43-23-28(38)19-27(37)20-34(39)40/h3-18,27-28,35,37-38H,19-23H2,1-2H3,(H,39,40)/t27-,28+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50150338
PNG
(CHEMBL181604 | N-{3-[(2,4-Difluoro-benzyl)-(4-phen...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccccc2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C28H26F2N2O3S/c1-20-27(31-36(2,33)34)9-6-10-28(20)32(19-22-13-14-23(29)17-26(22)30)18-21-11-15-25(16-12-21)35-24-7-4-3-5-8-24/h3-17,31H,18-19H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes

Bioorg Med Chem Lett 14: 4173-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.021
BindingDB Entry DOI: 10.7270/Q2FJ2HJ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%