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Compile Data Set for Download or QSAR

Found 497 hits with Last Name = 'wu' and Initial = 'dr'   
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))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
Show InChI InChI=1S/C24H25FN2OS/c1-23-13-16-14-26-27(20-8-6-19(25)7-9-20)21(16)12-17(23)4-3-5-22(23)24(2,28)18-10-11-29-15-18/h6-12,14-15,22,28H,3-5,13H2,1-2H3/t22-,23-,24+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303831
PNG
(3-((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccc(c1)C#N |r,t:7|
Show InChI InChI=1S/C27H26FN3O/c1-26-16-31-17-30-25(19-9-11-22(28)12-10-19)23(31)14-20(26)6-4-8-24(26)27(2,32)21-7-3-5-18(13-21)15-29/h3,5,7,9-14,17,24,32H,4,6,8,16H2,1-2H3/t24-,26-,27+/m0/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440487
PNG
(CHEMBL2426137)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303827
PNG
((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccccc1 |r,t:7|
Show InChI InChI=1S/C26H27FN2O/c1-25-16-29-17-28-24(18-11-13-21(27)14-12-18)22(29)15-20(25)9-6-10-23(25)26(2,30)19-7-4-3-5-8-19/h3-5,7-8,11-15,17,23,30H,6,9-10,16H2,1-2H3/t23-,25-,26+/m0/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303813
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7|
Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/t21-,23-,24+/m0/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440497
PNG
(CHEMBL2426140)
Show SMILES CC(C)(C(c1ccccc1)c1ccn2c(ncc2c1)-c1ccccc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-28-17-33-25)22(18-9-5-3-6-10-18)20-13-14-31-21(15-20)16-27-23(31)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,29,30,32)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440488
PNG
(CHEMBL2426147)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1F)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H21F2N5OS/c1-26(2,24(34)31-25-32-30-15-35-25)22(16-6-4-3-5-7-16)17-8-11-21-23(29-14-33(21)13-17)19-10-9-18(27)12-20(19)28/h3-15,22H,1-2H3,(H,31,32,34)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
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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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
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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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303811
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES Cc1ccc(s1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C25H27FN2OS/c1-16-7-12-22(30-16)25(3,29)21-6-4-5-18-13-20-23(17-8-10-19(26)11-9-17)27-15-28(20)14-24(18,21)2/h7-13,15,21,29H,4-6,14H2,1-3H3/t21-,24-,25-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19223
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5|
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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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440501
PNG
(CHEMBL2426144)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(cc1)C#N)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-6-4-3-5-7-19)21-12-13-22-24(29-16-33(22)15-21)20-10-8-18(14-28)9-11-20/h3-13,15-17,23H,1-2H3,(H,31,32,34)
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440485
PNG
(CHEMBL2426138)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-29-16-34-25)22(17-6-4-3-5-7-17)19-10-13-21-23(28-15-32(21)14-19)18-8-11-20(27)12-9-18/h3-16,22H,1-2H3,(H,30,31,33)
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303824
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:7|
Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-8-10-18(25)11-9-16)19(27)13-17(23)5-3-6-20(23)24(2,28)21-7-4-12-29-21/h4,7-13,15,20,28H,3,5-6,14H2,1-2H3/t20-,23-,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303826
PNG
((S)-1-(4-Fluorophenyl)-1-((5aR,6S)-1-(4-fluorophen...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(F)cc1 |r,t:7|
Show InChI InChI=1S/C26H26F2N2O/c1-25-15-30-16-29-24(17-6-10-20(27)11-7-17)22(30)14-19(25)4-3-5-23(25)26(2,31)18-8-12-21(28)13-9-18/h6-14,16,23,31H,3-5,15H2,1-2H3/t23-,25-,26+/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303828
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15|
Show InChI InChI=1S/C27H29FN2O/c1-18-7-4-5-9-22(18)27(3,31)24-10-6-8-20-15-23-25(19-11-13-21(28)14-12-19)29-17-30(23)16-26(20,24)2/h4-5,7,9,11-15,17,24,31H,6,8,10,16H2,1-3H3/t24-,26-,27+/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303830
PNG
((S)-1-(4-Chlorophenyl)-1-((5aR,6S)-1-(4-fluorophen...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)cc1 |r,t:7|
Show InChI InChI=1S/C26H26ClFN2O/c1-25-15-30-16-29-24(17-6-12-21(28)13-7-17)22(30)14-19(25)4-3-5-23(25)26(2,31)18-8-10-20(27)11-9-18/h6-14,16,23,31H,3-5,15H2,1-2H3/t23-,25-,26+/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303808
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccnc1 |r,t:7|
Show InChI InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-8-10-20(26)11-9-17)21(29)13-18(24)5-3-7-22(24)25(2,30)19-6-4-12-27-14-19/h4,6,8-14,16,22,30H,3,5,7,15H2,1-2H3/t22-,24-,25+/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303809
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccncc1 |r,t:7|
Show InChI InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-6-8-20(26)9-7-17)21(29)14-19(24)4-3-5-22(24)25(2,30)18-10-12-27-13-11-18/h6-14,16,22,30H,3-5,15H2,1-2H3/t22-,24-,25+/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303810
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C25H27FN2OS/c1-16-11-12-30-23(16)25(3,29)21-6-4-5-18-13-20-22(17-7-9-19(26)10-8-17)27-15-28(20)14-24(18,21)2/h7-13,15,21,29H,4-6,14H2,1-3H3/t21-,24-,25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440490
PNG
(CHEMBL2426146)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1F)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H22F2N4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)18-8-11-22-24(31-16-33(22)15-18)20-10-9-19(28)14-21(20)29/h3-16,23H,1-2H3,(H,30,32,34)
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303821
PNG
((R)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@@](O)(C1CCOCC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C25H31FN2O2/c1-24-15-28-16-27-23(17-6-8-20(26)9-7-17)21(28)14-19(24)4-3-5-22(24)25(2,29)18-10-12-30-13-11-18/h6-9,14,16,18,22,29H,3-5,10-13,15H2,1-2H3/t22-,24-,25+/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccc(F)cc1 |r,t:5|
Show InChI InChI=1S/C26H26F2N2O/c1-25-15-17-16-29-30(22-12-10-21(28)11-13-22)23(17)14-19(25)4-3-5-24(25)26(2,31)18-6-8-20(27)9-7-18/h6-14,16,24,31H,3-5,15H2,1-2H3/t24-,25-,26+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303806
PNG
(4-((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:7|
Show InChI InChI=1S/C27H26FN3O/c1-26-16-31-17-30-25(19-8-12-22(28)13-9-19)23(31)14-21(26)4-3-5-24(26)27(2,32)20-10-6-18(15-29)7-11-20/h6-14,17,24,32H,3-5,16H2,1-2H3/t24-,26-,27+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303829
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES Cc1cccc(c1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15|
Show InChI InChI=1S/C27H29FN2O/c1-18-6-4-8-21(14-18)27(3,31)24-9-5-7-20-15-23-25(19-10-12-22(28)13-11-19)29-17-30(23)16-26(20,24)2/h4,6,8,10-15,17,24,31H,5,7,9,16H2,1-3H3/t24-,26-,27+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303819
PNG
((R)-1-Cyclopropyl-1-((5aR,6S)-1-(4-fluorophenyl)-5...)
Show SMILES C[C@@](O)(C1CC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|
Show InChI InChI=1S/C23H27FN2O/c1-22-13-26-14-25-21(15-6-10-18(24)11-7-15)19(26)12-17(22)4-3-5-20(22)23(2,27)16-8-9-16/h6-7,10-12,14,16,20,27H,3-5,8-9,13H2,1-2H3/t20-,22-,23+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440487
PNG
(CHEMBL2426137)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440485
PNG
(CHEMBL2426138)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-29-16-34-25)22(17-6-4-3-5-7-17)19-10-13-21-23(28-15-32(21)14-19)18-8-11-20(27)12-9-18/h3-16,22H,1-2H3,(H,30,31,33)
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440497
PNG
(CHEMBL2426140)
Show SMILES CC(C)(C(c1ccccc1)c1ccn2c(ncc2c1)-c1ccccc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-28-17-33-25)22(18-9-5-3-6-10-18)20-13-14-31-21(15-20)16-27-23(31)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,29,30,32)
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303814
PNG
((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1nccs1 |r,t:7|
Show InChI InChI=1S/C23H24FN3OS/c1-22-13-27-14-26-20(15-6-8-17(24)9-7-15)18(27)12-16(22)4-3-5-19(22)23(2,28)21-25-10-11-29-21/h6-12,14,19,28H,3-5,13H2,1-2H3/t19-,22-,23-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303820
PNG
((R)-1-Cyclohexyl-1-((5aR,6S)-1-(4-fluorophenyl)-5a...)
Show SMILES C[C@@](O)(C1CCCCC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C26H33FN2O/c1-25-16-29-17-28-24(18-11-13-21(27)14-12-18)22(29)15-20(25)9-6-10-23(25)26(2,30)19-7-4-3-5-8-19/h11-15,17,19,23,30H,3-10,16H2,1-2H3/t23-,25-,26+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19206
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CC=C |r,t:5|
Show InChI InChI=1S/C22H25FN2O/c1-3-5-21(26)19-7-4-6-16-12-20-15(13-22(16,19)2)14-24-25(20)18-10-8-17(23)9-11-18/h3,8-12,14,19,21,26H,1,4-7,13H2,2H3/t19-,21+,22+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017021
PNG
(CHEMBL3287047 | US9428504, 1)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H35F3N4O3/c1-29(2,3)19-37-17-15-30(16-18-37)20-38(27-23(30)7-6-10-26(27)39)25-9-5-4-8-24(25)36-28(40)35-21-11-13-22(14-12-21)41-31(32,33)34/h4-14,39H,15-20H2,1-3H3,(H2,35,36,40)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y1 receptor in human platelets


Bioorg Med Chem Lett 24: 1294-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.066
BindingDB Entry DOI: 10.7270/Q20G3MQF
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440498
PNG
(CHEMBL2426143)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(cc1)C#N)C(=O)Nc1nccs1
Show InChI InChI=1S/C28H23N5OS/c1-28(2,26(34)32-27-30-14-15-35-27)24(20-6-4-3-5-7-20)22-12-13-23-25(31-18-33(23)17-22)21-10-8-19(16-29)9-11-21/h3-15,17-18,24H,1-2H3,(H,30,32,34)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440499
PNG
(CHEMBL2426142)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(29-16-33(22)15-21)20-10-6-7-18(13-20)14-28/h3-13,15-17,23H,1-2H3,(H,31,32,34)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440487
PNG
(CHEMBL2426137)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440500
PNG
(CHEMBL2426141)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nccs1
Show InChI InChI=1S/C28H23N5OS/c1-28(2,26(34)32-27-30-13-14-35-27)24(20-8-4-3-5-9-20)22-11-12-23-25(31-18-33(23)17-22)21-10-6-7-19(15-21)16-29/h3-15,17-18,24H,1-2H3,(H,30,32,34)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303812
PNG
((S)-1-(5-Chlorothiophen-2-yl)-1-((5aR,6S)-1-(4-flu...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|
Show InChI InChI=1S/C24H24ClFN2OS/c1-23-13-28-14-27-22(15-6-8-17(26)9-7-15)18(28)12-16(23)4-3-5-19(23)24(2,29)20-10-11-21(25)30-20/h6-12,14,19,29H,3-5,13H2,1-2H3/t19-,23-,24-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303815
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10|
Show InChI InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440495
PNG
(CHEMBL2426149)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)c(Cl)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H21ClFN5OS/c1-26(2,24(34)31-25-32-30-15-35-25)22(16-6-4-3-5-7-16)18-9-11-21-23(29-14-33(21)13-18)17-8-10-20(28)19(27)12-17/h3-15,22H,1-2H3,(H,31,32,34)
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440484
PNG
(CHEMBL2426139)
Show SMILES CC(C)(C(c1ccccc1)c1ccn2c(ncc2c1)-c1ccccc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H24N4OS/c1-27(2,25(32)30-26-28-14-16-33-26)23(19-9-5-3-6-10-19)21-13-15-31-22(17-21)18-29-24(31)20-11-7-4-8-12-20/h3-18,23H,1-2H3,(H,28,30,32)
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440497
PNG
(CHEMBL2426140)
Show SMILES CC(C)(C(c1ccccc1)c1ccn2c(ncc2c1)-c1ccccc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-28-17-33-25)22(18-9-5-3-6-10-18)20-13-14-31-21(15-20)16-27-23(31)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,29,30,32)
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440496
PNG
(CHEMBL2426145)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(CO)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O2S/c1-27(2,25(34)30-26-31-29-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(28-16-32(22)14-21)20-10-6-7-18(13-20)15-33/h3-14,16-17,23,33H,15H2,1-2H3,(H,30,31,34)
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303822
PNG
((S)-1,1,1-Trifluoro-2-((5aR,6S)-1-(4-fluorophenyl)...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)C(F)(F)F |r,t:7|
Show InChI InChI=1S/C21H22F4N2O/c1-19-11-27-12-26-18(13-6-8-15(22)9-7-13)16(27)10-14(19)4-3-5-17(19)20(2,28)21(23,24)25/h6-10,12,17,28H,3-5,11H2,1-2H3/t17-,19-,20-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440485
PNG
(CHEMBL2426138)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-29-16-34-25)22(17-6-4-3-5-7-17)19-10-13-21-23(28-15-32(21)14-19)18-8-11-20(27)12-9-18/h3-16,22H,1-2H3,(H,30,31,33)
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440494
PNG
(CHEMBL2426152)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2[nH]ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H21N3OS/c1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18/h3-14,19,23H,1-2H3,(H,24,25,26)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303816
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|
Show InChI InChI=1S/C24H31FN2O/c1-4-5-13-24(3,28)21-8-6-7-18-14-20-22(17-9-11-19(25)12-10-17)26-16-27(20)15-23(18,21)2/h9-12,14,16,21,28H,4-8,13,15H2,1-3H3/t21-,23-,24+/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440493
PNG
(CHEMBL2426148)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)c(Cl)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H22ClFN4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)19-9-11-22-24(31-16-33(22)15-19)18-8-10-21(29)20(28)14-18/h3-16,23H,1-2H3,(H,30,32,34)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303833
PNG
(1-(1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexah...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)CC=C)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H25FN2O/c1-3-5-20(26)18-7-4-6-16-12-19-21(15-8-10-17(23)11-9-15)24-14-25(19)13-22(16,18)2/h3,8-12,14,18,20,26H,1,4-7,13H2,2H3
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
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