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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50411022'   
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))
BDBM50411022
PNG
(CHEMBL377154)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C)CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O4/c1-14-18-12-16(9-10-17(18)20(30)33-29-14)28-21(31)23(32,24(25,26)27)13-22(2)11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,32H,5,7,11,13H2,1-2H3,(H,28,31)
PDB

KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 10n/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))
BDBM50411022
PNG
(CHEMBL377154)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C)CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O4/c1-14-18-12-16(9-10-17(18)20(30)33-29-14)28-21(31)23(32,24(25,26)27)13-22(2)11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,32H,5,7,11,13H2,1-2H3,(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 398n/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))
BDBM50411022
PNG
(CHEMBL377154)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C)CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O4/c1-14-18-12-16(9-10-17(18)20(30)33-29-14)28-21(31)23(32,24(25,26)27)13-22(2)11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,32H,5,7,11,13H2,1-2H3,(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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411022
PNG
(CHEMBL377154)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C)CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O4/c1-14-18-12-16(9-10-17(18)20(30)33-29-14)28-21(31)23(32,24(25,26)27)13-22(2)11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,32H,5,7,11,13H2,1-2H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as MMTV-mediated transactivation of renilla luciferase gene in human A549 cells relative to Dexamethasone


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