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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50444191'   
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))
BDBM50444191
PNG
(CHEMBL3093444)
Show SMILES CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H19Cl2N3O2S/c1-18(2,9-11-10-22-16-6-4-3-5-13(11)16)23-26(24,25)17-14(20)7-12(19)8-15(17)21/h3-8,10,22-23H,9,21H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444191
PNG
(CHEMBL3093444)
Show SMILES CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H19Cl2N3O2S/c1-18(2,9-11-10-22-16-6-4-3-5-13(11)16)23-26(24,25)17-14(20)7-12(19)8-15(17)21/h3-8,10,22-23H,9,21H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair