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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50411038'   
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))
BDBM50411038
PNG
(CHEMBL214333)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCOc2ccccc12
Show InChI InChI=1S/C24H23F3N2O5/c1-3-22(10-11-33-19-7-5-4-6-18(19)22)13-23(32,24(25,26)27)21(31)28-15-8-9-16-17(12-15)14(2)29-34-20(16)30/h4-9,12,32H,3,10-11,13H2,1-2H3,(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 11.7n/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))
BDBM50411038
PNG
(CHEMBL214333)
Show SMILES CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCOc2ccccc12
Show InChI InChI=1S/C24H23F3N2O5/c1-3-22(10-11-33-19-7-5-4-6-18(19)22)13-23(32,24(25,26)27)21(31)28-15-8-9-16-17(12-15)14(2)29-34-20(16)30/h4-9,12,32H,3,10-11,13H2,1-2H3,(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+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