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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50249141'   
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))
BDBM50249141
PNG
(15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[...)
Show SMILES Cc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)n1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(25.89,-10.69,;24.49,-11.33,;23.15,-10.57,;22.01,-11.62,;22.65,-13.02,;21.9,-14.37,;20.35,-14.38,;19.57,-13.06,;19.6,-15.72,;18.25,-14.95,;20.11,-16.49,;20.11,-18.68,;18.25,-19.2,;16.9,-19.97,;15.57,-19.2,;15.57,-17.66,;16.9,-16.88,;18.21,-17.81,;19.6,-17.14,;21.13,-18.03,;22.4,-17.3,;23.68,-18.03,;23.69,-19.51,;22.41,-20.25,;21.13,-19.51,;24.19,-12.84,)|
Show InChI InChI=1S/C22H20N2OS/c1-13-12-26-21(23-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
8.70n/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))
BDBM50249141
PNG
(15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[...)
Show SMILES Cc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)n1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(25.89,-10.69,;24.49,-11.33,;23.15,-10.57,;22.01,-11.62,;22.65,-13.02,;21.9,-14.37,;20.35,-14.38,;19.57,-13.06,;19.6,-15.72,;18.25,-14.95,;20.11,-16.49,;20.11,-18.68,;18.25,-19.2,;16.9,-19.97,;15.57,-19.2,;15.57,-17.66,;16.9,-16.88,;18.21,-17.81,;19.6,-17.14,;21.13,-18.03,;22.4,-17.3,;23.68,-18.03,;23.69,-19.51,;22.41,-20.25,;21.13,-19.51,;24.19,-12.84,)|
Show InChI InChI=1S/C22H20N2OS/c1-13-12-26-21(23-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(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>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