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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50249143'   
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))
BDBM50249143
PNG
(15-ethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2...)
Show SMILES CCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:1:2:5.10:12.17,9:10:3.2:12.17,13:12:5.10:3.2,THB:18:2:5.10:12.17,(-9.76,-32.3,;-8.42,-31.52,;-7.08,-32.3,;-6.57,-33.07,;-6.56,-35.26,;-8.43,-35.78,;-9.77,-36.55,;-11.11,-35.78,;-11.1,-34.23,;-9.78,-33.46,;-8.47,-34.38,;-7.08,-33.71,;-5.54,-34.61,;-4.27,-33.87,;-2.99,-34.6,;-2.99,-36.09,;-4.27,-36.83,;-5.55,-36.09,;-6.32,-30.96,;-7.11,-29.63,;-4.78,-30.94,;-4.02,-29.6,;-2.49,-29.42,;-2.18,-27.91,;-3.53,-27.15,;-4.66,-28.19,)|
Show InChI InChI=1S/C22H20N2OS/c1-2-22(20(25)24-21-23-11-12-26-21)13-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-12,18-19H,2,13H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3.90n/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))
BDBM50249143
PNG
(15-ethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2...)
Show SMILES CCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:1:2:5.10:12.17,9:10:3.2:12.17,13:12:5.10:3.2,THB:18:2:5.10:12.17,(-9.76,-32.3,;-8.42,-31.52,;-7.08,-32.3,;-6.57,-33.07,;-6.56,-35.26,;-8.43,-35.78,;-9.77,-36.55,;-11.11,-35.78,;-11.1,-34.23,;-9.78,-33.46,;-8.47,-34.38,;-7.08,-33.71,;-5.54,-34.61,;-4.27,-33.87,;-2.99,-34.6,;-2.99,-36.09,;-4.27,-36.83,;-5.55,-36.09,;-6.32,-30.96,;-7.11,-29.63,;-4.78,-30.94,;-4.02,-29.6,;-2.49,-29.42,;-2.18,-27.91,;-3.53,-27.15,;-4.66,-28.19,)|
Show InChI InChI=1S/C22H20N2OS/c1-2-22(20(25)24-21-23-11-12-26-21)13-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-12,18-19H,2,13H2,1H3,(H,23,24,25)
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>2.50E+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