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Compile Data Set for Download or QSAR

Found 17 hits of kd data for polymerid = 49000608,49000609,6680   
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


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/an/a 2n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to GR (unknown origin)


Bioorg Med Chem 27: 2508-2520 (2019)


Article DOI: 10.1016/j.bmc.2019.03.022
BindingDB Entry DOI: 10.7270/Q21N84GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
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 |r,t:9|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 2.20n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550121
PNG
(CHEMBL4787613)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3nn(cc3C[C@]12C)-c1ccccc1 |r,t:23|
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TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
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 |r,t:9|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 2.60n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/an/a 2.80n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(MOUSE)
BDBM50016932
PNG
(CHEMBL3273976)
Show SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(=O)N(CCCl)CCCl |r,c:13,t:9|
Show InChI InChI=1S/C29H38Cl2FNO7/c1-25(2)39-23-14-20-19-6-5-17-13-18(34)7-8-26(17,3)28(19,32)21(35)15-27(20,4)29(23,40-25)22(36)16-38-24(37)33(11-9-30)12-10-31/h7-8,13,19-21,23,35H,5-6,9-12,14-16H2,1-4H3/t19-,20-,21-,23+,26-,27-,28-,29+/m0/s1
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n/an/an/a 7n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550125
PNG
(CHEMBL4759037)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3c(C[C@]12C)cnn3CCCCCC |r,t:23|
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n/an/an/a 9n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
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/an/a 15n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to GR (unknown origin)


Bioorg Med Chem 27: 2508-2520 (2019)


Article DOI: 10.1016/j.bmc.2019.03.022
BindingDB Entry DOI: 10.7270/Q21N84GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/an/a 19n/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor (unknown origin)


J Med Chem 62: 10005-10025 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01732
BindingDB Entry DOI: 10.7270/Q2ZG6WHW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/an/a 19n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


J Med Chem 53: 3349-60 (2010)


Article DOI: 10.1021/jm100052k
BindingDB Entry DOI: 10.7270/Q2BP03RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550126
PNG
(3en3hg4wsw | CHEBI:8382 | Cortan | Cortancyl | Dec...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
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n/an/an/a 29n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550124
PNG
(CHEMBL4764990)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3c(C[C@]12C)cnn3-c1cccc(OC)c1 |r,t:23|
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n/an/an/a 32n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)
BDBM13775
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)CC[C@]12C |t:23|
Show InChI InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/an/a 43n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550122
PNG
(CHEMBL4754182)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3nn(cc3C[C@]12C)-c1ccc(F)cc1 |r,t:23|
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n/an/an/a 138n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)
BDBM50016931
PNG
(CHEBI:31677 | HYDROCORTISONE HEMISUCCINATE | Hydro...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:30|
Show InChI InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
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n/an/an/a 190n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)
BDBM50016933
PNG
(CHEMBL3273977)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)COC(=O)N(CCCl)CCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:32|
Show InChI InChI=1S/C26H37Cl2NO6/c1-24-7-5-17(30)13-16(24)3-4-18-19-6-8-26(34,25(19,2)14-20(31)22(18)24)21(32)15-35-23(33)29(11-9-27)12-10-28/h13,18-20,22,31,34H,3-12,14-15H2,1-2H3/t18-,19-,20-,22+,24-,25-,26-/m0/s1
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n/an/an/a 430n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs


J Med Chem 20: 1134-9 (1978)


BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50550123
PNG
(CHEMBL4755113)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=Cc3nn(cc3C[C@]12C)-c1ccc(C)cc1 |r,t:23|
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n/an/an/a 883n/an/an/an/an/a


TBA

Assay Description
Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and G...


Citation and Details

Article DOI: 10.1039/d0md00278j
BindingDB Entry DOI: 10.7270/Q25X2DJC
More data for this
Ligand-Target Pair