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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50249144'   
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))
BDBM50249144
PNG
(15-(2-hydroxyethyl)-N-(1,3-thiazol-2-yl)tetracyclo...)
Show SMILES OCCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:2:3:6.11:13.18,10:11:4.3:13.18,14:13:6.11:4.3,THB:19:3:6.11:13.18,(.97,-31.91,;2.31,-32.69,;3.64,-31.91,;4.99,-32.69,;5.49,-33.46,;5.5,-35.65,;3.63,-36.17,;2.29,-36.94,;.95,-36.17,;.96,-34.62,;2.28,-33.85,;3.6,-34.77,;4.99,-34.1,;6.52,-35,;7.79,-34.26,;9.07,-34.99,;9.07,-36.48,;7.79,-37.22,;6.52,-36.48,;5.74,-31.35,;4.95,-30.02,;7.28,-31.33,;8.04,-29.99,;9.58,-29.81,;9.88,-28.29,;8.54,-27.54,;7.4,-28.58,)|
Show InChI InChI=1S/C22H20N2O2S/c25-11-9-22(20(26)24-21-23-10-12-27-21)13-18-14-5-1-3-7-16(14)19(22)17-8-4-2-6-15(17)18/h1-8,10,12,18-19,25H,9,11,13H2,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
303n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay


Bioorg Med Chem Lett 19: 2139-43 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50249144
PNG
(15-(2-hydroxyethyl)-N-(1,3-thiazol-2-yl)tetracyclo...)
Show SMILES OCCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:2:3:6.11:13.18,10:11:4.3:13.18,14:13:6.11:4.3,THB:19:3:6.11:13.18,(.97,-31.91,;2.31,-32.69,;3.64,-31.91,;4.99,-32.69,;5.49,-33.46,;5.5,-35.65,;3.63,-36.17,;2.29,-36.94,;.95,-36.17,;.96,-34.62,;2.28,-33.85,;3.6,-34.77,;4.99,-34.1,;6.52,-35,;7.79,-34.26,;9.07,-34.99,;9.07,-36.48,;7.79,-37.22,;6.52,-36.48,;5.74,-31.35,;4.95,-30.02,;7.28,-31.33,;8.04,-29.99,;9.58,-29.81,;9.88,-28.29,;8.54,-27.54,;7.4,-28.58,)|
Show InChI InChI=1S/C22H20N2O2S/c25-11-9-22(20(26)24-21-23-10-12-27-21)13-18-14-5-1-3-7-16(14)19(22)17-8-4-2-6-15(17)18/h1-8,10,12,18-19,25H,9,11,13H2,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transrepression activity at GR in PMA-stimulated human A549 cells assessed as inhibition of AP1 response element-induced luciferase reporter gene act...


Bioorg Med Chem Lett 19: 2139-43 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC
More data for this
Ligand-Target Pair