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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50440223'   
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))
BDBM50440223
PNG
(CHEMBL2426627)
Show SMILES Cc1cnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3n(ncc3c2)-c2ccc(F)cc2)s1
Show InChI InChI=1S/C28H25FN4OS/c1-18-16-30-27(35-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)17-31-33(24)23-12-10-22(29)11-13-23/h4-17,25H,1-3H3,(H,30,32,34)
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))
BDBM50440223
PNG
(CHEMBL2426627)
Show SMILES Cc1cnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3n(ncc3c2)-c2ccc(F)cc2)s1
Show InChI InChI=1S/C28H25FN4OS/c1-18-16-30-27(35-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)17-31-33(24)23-12-10-22(29)11-13-23/h4-17,25H,1-3H3,(H,30,32,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 49n/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