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Compile Data Set for Download or QSAR

Found 174 hits Enz. Inhib. hit(s) with all data for entry = 50039011   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
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))
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))
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))
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))
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
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303823
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|
Show InChI InChI=1S/C24H31FN2O/c1-16(2)13-24(4,28)21-7-5-6-18-12-20-22(17-8-10-19(25)11-9-17)26-15-27(20)14-23(18,21)3/h8-12,15-16,21,28H,5-7,13-14H2,1-4H3/t21-,23-,24+/m0/s1
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9n/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))
BDBM50303818
PNG
((R)-1-(4-Fluorophenyl)-2-((5aR,6S)-1-(4-fluorophen...)
Show SMILES C[C@@](O)(Cc1ccc(F)cc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
Show InChI InChI=1S/C27H28F2N2O/c1-26-16-31-17-30-25(19-8-12-22(29)13-9-19)23(31)14-20(26)4-3-5-24(26)27(2,32)15-18-6-10-21(28)11-7-18/h6-14,17,24,32H,3-5,15-16H2,1-2H3/t24-,26-,27+/m0/s1
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11n/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))
BDBM50303832
PNG
((4-fluorophenyl)-((5aR,6S)-1-(4-fluorophenyl)-5a-m...)
Show SMILES C[C@]12Cn3cnc(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1)-c1ccc(F)cc1 |r,c:9|
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-29-15-28-23(16-5-9-19(26)10-6-16)22(29)13-18(25)3-2-4-21(25)24(30)17-7-11-20(27)12-8-17/h5-13,15,21,24,30H,2-4,14H2,1H3/t21-,24-,25+/m1/s1
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25n/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))
BDBM50303832
PNG
((4-fluorophenyl)-((5aR,6S)-1-(4-fluorophenyl)-5a-m...)
Show SMILES C[C@]12Cn3cnc(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1)-c1ccc(F)cc1 |r,c:9|
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-29-15-28-23(16-5-9-19(26)10-6-16)22(29)13-18(25)3-2-4-21(25)24(30)17-7-11-20(27)12-8-17/h5-13,15,21,24,30H,2-4,14H2,1H3/t21-,24-,25+/m1/s1
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25n/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))
BDBM50303807
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)c1ccccn1 |r,t:7|
Show InChI InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-9-11-19(26)12-10-17)20(29)14-18(24)6-5-7-21(24)25(2,30)22-8-3-4-13-27-22/h3-4,8-14,16,21,30H,5-7,15H2,1-2H3/t21-,24-,25-/m0/s1
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31n/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))
BDBM50303825
PNG
((5aR,6S)-1-(4-Fluorophenyl)-6-((S)-1-methoxy-1-(th...)
Show SMILES CO[C@@](C)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:8|
Show InChI InChI=1S/C25H27FN2OS/c1-24-15-28-16-27-23(17-9-11-19(26)12-10-17)20(28)14-18(24)6-4-7-21(24)25(2,29-3)22-8-5-13-30-22/h5,8-14,16,21H,4,6-7,15H2,1-3H3/t21-,24-,25-/m0/s1
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33n/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))
BDBM50303817
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
Show InChI InChI=1S/C28H31FN2O/c1-27-18-31-19-30-26(21-11-13-23(29)14-12-21)24(31)17-22(27)9-6-10-25(27)28(2,32)16-15-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,25,32H,6,9-10,15-16,18H2,1-2H3/t25-,27-,28+/m0/s1
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47n/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
Progesterone 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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132n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


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))
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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134n/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))
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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134n/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
Progesterone 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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230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


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
Progesterone 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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238n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


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
Progesterone 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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409n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


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
Progesterone receptor


(Homo sapiens (Human))
BDBM50303832
PNG
((4-fluorophenyl)-((5aR,6S)-1-(4-fluorophenyl)-5a-m...)
Show SMILES C[C@]12Cn3cnc(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1)-c1ccc(F)cc1 |r,c:9|
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-29-15-28-23(16-5-9-19(26)10-6-16)22(29)13-18(25)3-2-4-21(25)24(30)17-7-11-20(27)12-8-17/h5-13,15,21,24,30H,2-4,14H2,1H3/t21-,24-,25+/m1/s1
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451n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


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))
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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>1.15E+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
Progesterone 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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1.81E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


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
Androgen 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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n/an/a>4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor


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
Androgen 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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n/an/a>4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor


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
Androgen 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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n/an/a>4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor


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
Androgen 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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n/an/a>4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor


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
Androgen receptor


(Homo sapiens (Human))
BDBM50303823
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|
Show InChI InChI=1S/C24H31FN2O/c1-16(2)13-24(4,28)21-7-5-6-18-12-20-22(17-8-10-19(25)11-9-17)26-15-27(20)14-23(18,21)3/h8-12,15-16,21,28H,5-7,13-14H2,1-4H3/t21-,23-,24+/m0/s1
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n/an/a>4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor


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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