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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 477.4
BDBM50356040

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
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))
BDBM50356040
PNG
(CHEMBL1911546)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F7NO2/c1-20(2,17-10-14(24)7-8-18(17)33-3)12-21(32,23(28,29)30)11-15-9-13-5-4-6-16(19(13)31-15)22(25,26)27/h4-10,31-32H,11-12H2,1-3H3
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50356040
PNG
(CHEMBL1911546)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F7NO2/c1-20(2,17-10-14(24)7-8-18(17)33-3)12-21(32,23(28,29)30)11-15-9-13-5-4-6-16(19(13)31-15)22(25,26)27/h4-10,31-32H,11-12H2,1-3H3
PDB
MMDB

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Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant mineralocorticoid receptor expressed in baculovirus infected insect...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50356040
PNG
(CHEMBL1911546)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F7NO2/c1-20(2,17-10-14(24)7-8-18(17)33-3)12-21(32,23(28,29)30)11-15-9-13-5-4-6-16(19(13)31-15)22(25,26)27/h4-10,31-32H,11-12H2,1-3H3
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled RU-486 from human recombinant progesterone receptor expressed in baculovirus infected insect cells by fl...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356040
PNG
(CHEMBL1911546)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F7NO2/c1-20(2,17-10-14(24)7-8-18(17)33-3)12-21(32,23(28,29)30)11-15-9-13-5-4-6-16(19(13)31-15)22(25,26)27/h4-10,31-32H,11-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356040
PNG
(CHEMBL1911546)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F7NO2/c1-20(2,17-10-14(24)7-8-18(17)33-3)12-21(32,23(28,29)30)11-15-9-13-5-4-6-16(19(13)31-15)22(25,26)27/h4-10,31-32H,11-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>2.00E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor in HFF assessed as induction of aromatase activity by measuring beta-estradiol activity after 18 ...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair