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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50411021'   
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))
BDBM50411021
PNG
(CHEMBL212329)
Show SMILES COc1cccc2C(CC(O)(C(=O)Nc3ccc4c(c3)c(C)noc4=O)C(F)(F)F)CCCc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-19-11-15(9-10-18(19)21(30)34-29-13)28-22(31)23(32,24(25,26)27)12-14-5-3-7-17-16(14)6-4-8-20(17)33-2/h4,6,8-11,14,32H,3,5,7,12H2,1-2H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13n/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))
BDBM50411021
PNG
(CHEMBL212329)
Show SMILES COc1cccc2C(CC(O)(C(=O)Nc3ccc4c(c3)c(C)noc4=O)C(F)(F)F)CCCc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-19-11-15(9-10-18(19)21(30)34-29-13)28-22(31)23(32,24(25,26)27)12-14-5-3-7-17-16(14)6-4-8-20(17)33-2/h4,6,8-11,14,32H,3,5,7,12H2,1-2H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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