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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50440235'   
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))
BDBM50440235
PNG
(CHEMBL2426634)
Show SMILES CC(C)(Cc1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C20H18FN5OS/c1-20(2,18(27)24-19-25-22-12-28-19)10-13-3-8-17-14(9-13)11-23-26(17)16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,24,25,27)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
84n/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))
BDBM50440235
PNG
(CHEMBL2426634)
Show SMILES CC(C)(Cc1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C20H18FN5OS/c1-20(2,18(27)24-19-25-22-12-28-19)10-13-3-8-17-14(9-13)11-23-26(17)16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,24,25,27)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 4.32E+3n/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