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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.4
BDBM50356052

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))
BDBM50356052
PNG
(CHEMBL1911652)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO2/c1-14-5-6-15-10-17(28-19(15)9-14)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)7-8-20(18)30-4/h5-11,28-29H,12-13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 38n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356052
PNG
(CHEMBL1911652)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO2/c1-14-5-6-15-10-17(28-19(15)9-14)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)7-8-20(18)30-4/h5-11,28-29H,12-13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 334n/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
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50356052
PNG
(CHEMBL1911652)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO2/c1-14-5-6-15-10-17(28-19(15)9-14)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)7-8-20(18)30-4/h5-11,28-29H,12-13H2,1-4H3
PDB
MMDB

KEGG

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

Patents


Similars

Article
PubMed
n/an/a 720n/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))
BDBM50356052
PNG
(CHEMBL1911652)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO2/c1-14-5-6-15-10-17(28-19(15)9-14)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)7-8-20(18)30-4/h5-11,28-29H,12-13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.25E+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))
BDBM50356052
PNG
(CHEMBL1911652)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO2/c1-14-5-6-15-10-17(28-19(15)9-14)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)7-8-20(18)30-4/h5-11,28-29H,12-13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 976n/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