BindingDB logo
myBDB logout

54 similar compounds to monomer 19200

Compile data set for download or QSAR
Wt: 388.4
BDBM19191
Wt: 406.4
BDBM19192
Wt: 406.4
BDBM19193
Wt: 404.4
BDBM19194
Wt: 404.4
BDBM19195
Wt: 422.9
BDBM19196
Wt: 436.4
BDBM19197
Wt: 420.4
BDBM19198
Wt: 454.4
BDBM19199
Wt: 420.4
BDBM19201
Wt: 408.5
BDBM19202
Wt: 326.4
BDBM19203
Wt: 340.4
BDBM19204
Wt: 368.4
BDBM19205
Wt: 352.4
BDBM19206
Displayed 1 to 15 (of 54 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 19191,19192,19193,19194,19195,19196,19197,19198,19199,19201,19202,19203,19204,19205,19206   
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))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM19206
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)CC=C)-c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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))
BDBM19194
PNG
(3-[(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 24.9n/a 54.2n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19195
PNG
(4-[(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.5n/a 19.5n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19196
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/a 1.90n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19197
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(ccc1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2O2/c1-26-14-17-15-29-30(20-9-7-19(27)8-10-20)23(17)13-18(26)4-3-5-21(26)25(31)16-6-11-22(28)24(12-16)32-2/h6-13,15,21,25,31H,3-5,14H2,1-2H3/t21-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.90n/a 31.3n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19198
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES Cc1cc(ccc1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2O/c1-16-12-17(6-11-23(16)28)25(31)22-5-3-4-19-13-24-18(14-26(19,22)2)15-29-30(24)21-9-7-20(27)8-10-21/h6-13,15,22,25,31H,3-5,14H2,1-2H3/t22-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.70n/a 10.2n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90n/a 14.4n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
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 C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/a 2.20n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/a 1n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19203
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN2O/c1-13(24)18-5-3-4-15-10-19-14(11-20(15,18)2)12-22-23(19)17-8-6-16(21)7-9-17/h6-10,12-13,18,24H,3-5,11H2,1-2H3/t13-,18+,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/a 14.3n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19204
PNG
(2-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH...)
Show SMILES CC(C)(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN2O/c1-20(2,25)19-6-4-5-15-11-18-14(12-21(15,19)3)13-23-24(18)17-9-7-16(22)8-10-17/h7-11,13,19,25H,4-6,12H2,1-3H3/t19-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/a 3n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19205
PNG
((1R)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES CC(C)(C)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2O/c1-22(2,3)21(27)19-7-5-6-16-12-20-15(13-23(16,19)4)14-25-26(20)18-10-8-17(24)9-11-18/h8-12,14,19,21,27H,5-7,13H2,1-4H3/t19-,21-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 77.3n/an/an/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
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 C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)CC=C)-c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.90n/a 9.30n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19191
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled progesterone in the presence of full log scale concentrations (10-11 M to 10-...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled progesterone in the presence of full log scale concentrations (10-11 M to 10-...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled progesterone in the presence of full log scale concentrations (10-11 M to 10-...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled progesterone in the presence of full log scale concentrations (10-11 M to 10-...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19191
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24+,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/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
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.30n/a 9.70n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


Bioorg Med Chem Lett 17: 3354-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.103
BindingDB Entry DOI: 10.7270/Q2542KVJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.960n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 14.4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/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
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 521n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 9.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
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 C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 57n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation of GAL-4 tagged glucocorticoid receptor ligand binding domain expressed in human HeLa cells assessed as NP1 activation by luciferase ...


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))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 36n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation of GAL-4 tagged glucocorticoid receptor ligand binding domain expressed in human HeLa cells assessed as NP1 activation by luciferase ...


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 C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)CC=C)-c1ccc(F)cc1
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


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))
BDBM19202
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccsc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


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))
BDBM19193
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1F)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-16-15-28-29(19-11-9-18(26)10-12-19)23(16)13-17(25)5-4-7-21(25)24(30)20-6-2-3-8-22(20)27/h2-3,6,8-13,15,21,24,30H,4-5,7,14H2,1H3/t21-,24+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.20n/a 2.70n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
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 C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)CC=C)-c1ccc(F)cc1
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 9.30n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


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))
BDBM19191
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.40n/a 2.90n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.20n/a 9.70n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair