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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50249194'   
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))
BDBM50249194
PNG
((15S)-15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6...)
Show SMILES C[C@@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.20,wD:1.0,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(20.82,-47.18,;22.17,-47.95,;22.68,-48.72,;22.68,-50.92,;20.81,-51.44,;19.47,-52.21,;18.13,-51.44,;18.14,-49.89,;19.46,-49.12,;20.78,-50.04,;22.17,-49.37,;23.7,-50.27,;24.98,-49.53,;26.26,-50.26,;26.26,-51.75,;24.98,-52.49,;23.7,-51.75,;22.92,-46.61,;22.14,-45.28,;24.47,-46.59,;25.23,-45.25,;26.76,-45.07,;27.07,-43.56,;25.72,-42.8,;24.59,-43.85,)|
Show InChI InChI=1S/C21H18N2OS/c1-21(19(24)23-20-22-10-11-25-20)12-17-13-6-2-4-8-15(13)18(21)16-9-5-3-7-14(16)17/h2-11,17-18H,12H2,1H3,(H,22,23,24)/t17?,18?,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26.2n/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))
BDBM50249194
PNG
((15S)-15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6...)
Show SMILES C[C@@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.20,wD:1.0,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(20.82,-47.18,;22.17,-47.95,;22.68,-48.72,;22.68,-50.92,;20.81,-51.44,;19.47,-52.21,;18.13,-51.44,;18.14,-49.89,;19.46,-49.12,;20.78,-50.04,;22.17,-49.37,;23.7,-50.27,;24.98,-49.53,;26.26,-50.26,;26.26,-51.75,;24.98,-52.49,;23.7,-51.75,;22.92,-46.61,;22.14,-45.28,;24.47,-46.59,;25.23,-45.25,;26.76,-45.07,;27.07,-43.56,;25.72,-42.8,;24.59,-43.85,)|
Show InChI InChI=1S/C21H18N2OS/c1-21(19(24)23-20-22-10-11-25-20)12-17-13-6-2-4-8-15(13)18(21)16-9-5-3-7-14(16)17/h2-11,17-18H,12H2,1H3,(H,22,23,24)/t17?,18?,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 544n/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