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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50416084'   
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))
BDBM50416084
PNG
(CHEMBL1083149)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-9-21(10-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-11-22(15-24(23)26(28,29)30)36(34,35)32-20-4-2-1-3-5-20/h1-16,32H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416084
PNG
(CHEMBL1083149)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-9-21(10-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-11-22(15-24(23)26(28,29)30)36(34,35)32-20-4-2-1-3-5-20/h1-16,32H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition of dexamethasone-induce...


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416084
PNG
(CHEMBL1083149)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-9-21(10-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-11-22(15-24(23)26(28,29)30)36(34,35)32-20-4-2-1-3-5-20/h1-16,32H
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

Curated by ChEMBL


Assay Description
Activity at GR in human A549 cells by NF-kappaB transrepression assay


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair