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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50411025'   
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))
BDBM50411025
PNG
(CHEMBL379159)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C(C)(C)C)C(F)(F)F)cc12
Show InChI InChI=1S/C27H29F3N2O4/c1-16-20-14-18(11-12-19(20)22(33)36-32-16)31-23(34)26(35,27(28,29)30)15-25(24(2,3)4)13-7-9-17-8-5-6-10-21(17)25/h5-6,8,10-12,14,35H,7,9,13,15H2,1-4H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of fluorescent-labeled Dexamethasone binding to GR


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411025
PNG
(CHEMBL379159)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C(C)(C)C)C(F)(F)F)cc12
Show InChI InChI=1S/C27H29F3N2O4/c1-16-20-14-18(11-12-19(20)22(33)36-32-16)31-23(34)26(35,27(28,29)30)15-25(24(2,3)4)13-7-9-17-8-5-6-10-21(17)25/h5-6,8,10-12,14,35H,7,9,13,15H2,1-4H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 776n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Activity at GR assessed as ability to antagonize dexamethasone-induced MMTV luciferase reporter gene transactivation in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411025
PNG
(CHEMBL379159)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C(C)(C)C)C(F)(F)F)cc12
Show InChI InChI=1S/C27H29F3N2O4/c1-16-20-14-18(11-12-19(20)22(33)36-32-16)31-23(34)26(35,27(28,29)30)15-25(24(2,3)4)13-7-9-17-8-5-6-10-21(17)25/h5-6,8,10-12,14,35H,7,9,13,15H2,1-4H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair