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Compile Data Set for Download or QSAR

Found 140 hits of ic50 for UniProtKB: P06536   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(RAT)
BDBM141379
PNG
(US8916600, 13 | US9738632, Example 13)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1
Show InChI InChI=1/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/s2
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/s2
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n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM19235
PNG
(2-{5-[4-({[(2,4-difluorophenyl)methyl](3-methanesu...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C30H27F3N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(31)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(32)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)
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n/an/a 0.200n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM141378
PNG
(US8916600, 12 | US9738632, Example 12)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/s2
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n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM141372
PNG
(US8916600, 6 | US9738632, Example 6)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1
Show InChI InChI=1/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/s2
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM141368
PNG
(US8916600, 2 | US8916600, 3 | US9738632, Example 2)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/s2
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n/an/a 0.340n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50250124
PNG
(CHEMBL4099639)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cccc(O)c1
Show InChI InChI=1/C24H19F4N3O3/c1-14(30-23(33)24(26,27)28)22(15-3-2-4-19(32)11-15)34-20-9-10-21-16(12-20)13-29-31(21)18-7-5-17(25)6-8-18/h2-14,22,32H,1H3,(H,30,33)/t14-,22-/s2
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n/an/a 0.560n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153502
PNG
(1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...)
Show SMILES CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h9-13,15,20,22,27H,3-8,14H2,1-2H3/t20-,22?,23+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50014432
PNG
(CHEMBL3261407)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/s2
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in rat PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM19234
PNG
(4-{4-[3-(4-{[benzyl(3-methanesulfonamido-2-methylp...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1
Show InChI InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-7-15-34(27)39(25-28-10-4-3-5-11-28)26-29-18-20-30(21-19-29)46-32-13-6-12-31(24-32)45-23-9-16-35(40)37-22-8-17-36(41)42/h3-7,10-15,18-21,24,38H,8-9,16-17,22-23,25-26H2,1-2H3,(H,37,40)(H,41,42)
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n/an/a 1n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
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
Show InChI InChI=1/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-/s2
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n/an/a 1.40n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM50153512
PNG
((9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydr...)
Show SMILES C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(O)=O
Show InChI InChI=1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11-,14?,15+,16+,18+,19+,20+,21+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054959
PNG
((4aS,4bR,5S,6aS,6bR,9aR)-4b-Fluoro-5-hydroxy-4a,6a...)
Show SMILES CS[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C
Show InChI InChI=1S/C23H31FO4S/c1-19(2)27-18-11-16-15-7-6-13-10-14(25)8-9-20(13,3)22(15,24)17(26)12-21(16,4)23(18,28-19)29-5/h8-10,15-18,26H,6-7,11-12H2,1-5H3/t15?,16?,17-,18+,20-,21-,22-,23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054966
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-4a...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC
Show InChI InChI=1S/C24H33FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h9-11,16-20,27H,5-8,12-13H2,1-4H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153508
PNG
(Benzo[b]thiophen-3-yl-[(4aR,5S)-1-(4-fluoro-phenyl...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1csc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26?,27+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50407988
PNG
(CHEMBL2112857)
Show SMILES CS[C@@]12O[C@@H](O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)\C=C\C
Show InChI InChI=1S/C24H31FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h5-6,9-11,16-20,27H,7-8,12-13H2,1-4H3/b6-5+/t16-,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
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
Show InChI InChI=1/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-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity against glucocorticoid receptor in rat H4-IIE cells assessed as inhibition of dexamethasone-induced receptor transactivation pre-...


J Med Chem 58: 6607-18 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00736
BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM19238
PNG
(2-{2-chloro-5-[4-({[(2,4-difluorophenyl)methyl](3-...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C30H27ClF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)
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n/an/a 1.90n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM19237
PNG
(2-[4-(4-{[benzyl(3-methanesulfonamido-2-methylphen...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1
Show InChI InChI=1S/C30H30N2O6S/c1-22-28(31-39(2,35)36)9-6-10-29(22)32(19-23-7-4-3-5-8-23)20-24-11-13-26(14-12-24)38-27-17-15-25(16-18-27)37-21-30(33)34/h3-18,31H,19-21H2,1-2H3,(H,33,34)
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n/an/a 2.10n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054953
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-4a...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC
Show InChI InChI=1S/C24H35FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h11,16-20,27H,5-10,12-13H2,1-4H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054964
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-6b-...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF
Show InChI InChI=1S/C24H31F3O4S/c1-4-5-20-30-19-10-14-15-9-17(26)16-8-13(28)6-7-21(16,2)23(15,27)18(29)11-22(14,3)24(19,31-20)32-12-25/h6-8,14-15,17-20,29H,4-5,9-12H2,1-3H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054955
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-5-h...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC
Show InChI InChI=1S/C24H34F2O4S/c1-5-6-20-29-19-11-14-15-10-17(25)16-9-13(27)7-8-21(16,2)23(15,26)18(28)12-22(14,3)24(19,30-20)31-4/h9,14-15,17-20,28H,5-8,10-12H2,1-4H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054961
PNG
((4aS,4bR,5S,6aS,6bR,9aR,12S)-4b,12-Difluoro-5-hydr...)
Show SMILES CS[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C
Show InChI InChI=1S/C23H30F2O4S/c1-19(2)28-18-10-13-14-9-16(24)15-8-12(26)6-7-20(15,3)22(14,25)17(27)11-21(13,4)23(18,29-19)30-5/h6-8,13-14,16-18,27H,9-11H2,1-5H3/t13?,14?,16-,17-,18+,20-,21-,22-,23-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50369181
PNG
(TIPREDANE)
Show SMILES CCS[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)SC
Show InChI InChI=1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16-,17-,18-,19-,20-,21+,22-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153504
PNG
(CHEMBL366093 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...)
Show SMILES COc1cccc(c1)C(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-26-15-18-16-28-29(21-11-9-20(27)10-12-21)24(18)14-19(26)6-4-8-23(26)25(30)17-5-3-7-22(13-17)31-2/h3,5,7,9-14,16,23,25,30H,4,6,8,15H2,1-2H3/t23-,25?,26+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054960
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-5-h...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC
Show InChI InChI=1S/C24H32F2O4S/c1-5-6-20-29-19-11-14-15-10-17(25)16-9-13(27)7-8-21(16,2)23(15,26)18(28)12-22(14,3)24(19,30-20)31-4/h7-9,14-15,17-20,28H,5-6,10-12H2,1-4H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153507
PNG
(CHEMBL186948 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc2ccccc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27FN2O/c1-29-17-22-18-31-32(25-13-11-24(30)12-14-25)27(22)16-23(29)7-4-8-26(29)28(33)21-10-9-19-5-2-3-6-20(19)15-21/h2-3,5-6,9-16,18,26,28,33H,4,7-8,17H2,1H3/t26-,28?,29+/m1/s1
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University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM19233
PNG
((2R,10S,11S,14S,15S)-14-hydroxy-15-methyl-2-[(4-me...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C
Show InChI InChI=1/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/s2
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n/an/a 2.40n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153519
PNG
(CHEMBL186954 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...)
Show SMILES Cc1ccc(cc1)C(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN2O/c1-17-6-8-18(9-7-17)25(30)23-5-3-4-20-14-24-19(15-26(20,23)2)16-28-29(24)22-12-10-21(27)11-13-22/h6-14,16,23,25,30H,3-5,15H2,1-2H3/t23-,25?,26+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50354850
PNG
(BUDESONIDE)
Show SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Show InChI InChI=1/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/s2
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n/an/a 2.90n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50381724
PNG
(CHEMBL2022858)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccc(F)cc3)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1/C28H33FN2O4/c1-26-12-16-14-30-31(19-6-4-18(29)5-7-19)22(16)11-17(26)3-8-20-21-9-10-28(35,24(34)15-32)27(21,2)13-23(33)25(20)26/h4-7,11,14,20-21,23,25,32-33,35H,3,8-10,12-13,15H2,1-2H3/t20-,21-,23-,25+,26-,27-,28-/s2
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3291-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.015
BindingDB Entry DOI: 10.7270/Q2V69KMZ
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054952
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-6b...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S(C)=O
Show InChI InChI=1S/C24H33FO5S/c1-5-6-20-29-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,30-20)31(4)28/h9-11,16-20,27H,5-8,12-13H2,1-4H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-,31?/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM39347
PNG
(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


J Med Chem 34: 2468-73 (1991)


Article DOI: 10.1021/jm00112a023
BindingDB Entry DOI: 10.7270/Q2W096H9
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50381733
PNG
(CHEMBL2022651)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccccc3)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1/C28H34N2O4/c1-26-13-17-15-29-30(19-6-4-3-5-7-19)22(17)12-18(26)8-9-20-21-10-11-28(34,24(33)16-31)27(21,2)14-23(32)25(20)26/h3-7,12,15,20-21,23,25,31-32,34H,8-11,13-14,16H2,1-2H3/t20-,21-,23-,25+,26-,27-,28-/s2
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n/an/a 3.23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3291-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.015
BindingDB Entry DOI: 10.7270/Q2V69KMZ
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054963
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-6b-Ethylsulfanyl-4b-fl...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCC
Show InChI InChI=1S/C25H35FO4S/c1-5-7-21-29-20-13-18-17-9-8-15-12-16(27)10-11-22(15,3)24(17,26)19(28)14-23(18,4)25(20,30-21)31-6-2/h10-12,17-21,28H,5-9,13-14H2,1-4H3/t17?,18?,19-,20+,21+,22-,23-,24-,25-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054962
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-6b-fluoromet...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF
Show InChI InChI=1S/C24H32F2O4S/c1-4-5-20-29-19-11-17-16-7-6-14-10-15(27)8-9-21(14,2)23(16,26)18(28)12-22(17,3)24(19,30-20)31-13-25/h8-10,16-20,28H,4-7,11-13H2,1-3H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50407989
PNG
(CHEMBL2112850)
Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF
Show InChI InChI=1S/C23H29F3O4S/c1-19(2)29-18-9-13-14-8-16(25)15-7-12(27)5-6-20(15,3)22(14,26)17(28)10-21(13,4)23(18,30-19)31-11-24/h5-7,13-14,16-18,28H,8-11H2,1-4H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50381737
PNG
(CHEMBL2021945)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccc(F)cc3)[C@@H]1CC[C@]2(O)C(=O)CSc1ccccn1
Show InChI InChI=1/C33H36FN3O3S/c1-31-16-20-18-36-37(23-9-7-22(34)8-10-23)26(20)15-21(31)6-11-24-25-12-13-33(40,32(25,2)17-27(38)30(24)31)28(39)19-41-29-5-3-4-14-35-29/h3-5,7-10,14-15,18,24-25,27,30,38,40H,6,11-13,16-17,19H2,1-2H3/t24-,25-,27-,30+,31-,32-,33-/s2
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3291-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.015
BindingDB Entry DOI: 10.7270/Q2V69KMZ
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50014433
PNG
(CHEMBL3261425)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
Show InChI InChI=1/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25)3)19-7-4-5-8-19)13-27-22-9-6-10-23-21(22)15-29-33(23)20-11-12-24(26)28-14-20/h6,9-12,14-16,19,27,31H,4-5,7-8,13H2,1-3H3/t16-/s2
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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in rat PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153515
PNG
(1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...)
Show SMILES CCCCCCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O/c1-3-4-5-6-7-8-12-26(31)24-11-9-10-21-17-25-20(18-27(21,24)2)19-29-30(25)23-15-13-22(28)14-16-23/h13-17,19,24,26,31H,3-12,18H2,1-2H3/t24-,26?,27+/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/s2
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n/an/a 5n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50009401
PNG
(CHEMBL315931 | Succinic acid 17-(2-chloro-acetyl)-...)
Show SMILES COC(=O)CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC12C)C(=O)CCl
Show InChI InChI=1S/C27H34ClFO7/c1-15-11-19-18-6-5-16-12-17(30)9-10-24(16,2)26(18,29)20(31)13-25(19,3)27(15,21(32)14-28)36-23(34)8-7-22(33)35-4/h9-10,12,15,18-20,31H,5-8,11,13-14H2,1-4H3/t15-,18?,19?,20-,24?,25?,26-,27-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


J Med Chem 34: 2468-73 (1991)


Article DOI: 10.1021/jm00112a023
BindingDB Entry DOI: 10.7270/Q2W096H9
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153503
PNG
(3-{[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1cccc(O)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O2/c1-25-14-17-15-27-28(20-10-8-19(26)9-11-20)23(17)13-18(25)5-3-7-22(25)24(30)16-4-2-6-21(29)12-16/h2,4,6,8-13,15,22,24,29-30H,3,5,7,14H2,1H3/t22-,24?,25+/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50407990
PNG
(CHEMBL2112858)
Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S(C)(=O)=O
Show InChI InChI=1S/C23H31FO6S/c1-19(2)29-18-11-16-15-7-6-13-10-14(25)8-9-20(13,3)22(15,24)17(26)12-21(16,4)23(18,30-19)31(5,27)28/h8-10,15-18,26H,6-7,11-12H2,1-5H3/t15-,16-,17-,18+,20-,21-,22-,23-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50421892
PNG
(Alphatrex | BETAMETHASONE DIPROPIONATE | Diprolene...)
Show SMILES CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Show InChI InChI=1/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/s2
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n/an/a 5.30n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


J Med Chem 34: 2468-73 (1991)


Article DOI: 10.1021/jm00112a023
BindingDB Entry DOI: 10.7270/Q2W096H9
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153511
PNG
(1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)Cc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN2O/c1-26-16-19-17-28-29(22-12-10-21(27)11-13-22)24(19)15-20(26)8-5-9-23(26)25(30)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,15,17,23,25,30H,5,8-9,14,16H2,1H3/t23-,25?,26+/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054967
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-6b...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC(C)C
Show InChI InChI=1S/C26H37FO4S/c1-6-7-22-30-21-13-19-18-9-8-16-12-17(28)10-11-23(16,4)25(18,27)20(29)14-24(19,5)26(21,31-22)32-15(2)3/h10-12,15,18-22,29H,6-9,13-14H2,1-5H3/t18?,19?,20-,21+,22+,23-,24-,25-,26-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153514
PNG
(4-{[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(O)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O2/c1-25-14-17-15-27-28(20-9-7-19(26)8-10-20)23(17)13-18(25)3-2-4-22(25)24(30)16-5-11-21(29)12-6-16/h5-13,15,22,24,29-30H,2-4,14H2,1H3/t22-,24?,25+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153506
PNG
((4-Chloro-phenyl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24ClFN2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24?,25+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
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