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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50440225'   
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))
BDBM50440225
PNG
(CHEMBL2426625)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nn1nccn1
Show InChI InChI=1S/C26H23FN6O/c1-26(2,25(34)31-33-28-14-15-29-33)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(27)10-12-22/h3-17,24H,1-2H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440225
PNG
(CHEMBL2426625)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nn1nccn1
Show InChI InChI=1S/C26H23FN6O/c1-26(2,25(34)31-33-28-14-15-29-33)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(27)10-12-22/h3-17,24H,1-2H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 17n/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activation by luciferase reporter gene ass...


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair