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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402498'   
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))
BDBM50402498
PNG
(CHEMBL2204043)
Show SMILES FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:18.18,21.25,(48.13,-27.4,;46.8,-26.63,;46.8,-25.09,;48.12,-25.84,;45.46,-27.39,;44.12,-26.61,;42.77,-27.37,;42.77,-28.91,;44.1,-29.69,;44.1,-31.25,;42.77,-32.04,;42.77,-33.59,;41.43,-34.36,;40.09,-33.59,;38.74,-34.38,;40.09,-32.04,;41.44,-31.27,;41.44,-29.73,;44.08,-34.36,;44.08,-35.9,;45.39,-36.68,;46.73,-35.92,;46.73,-34.38,;45.41,-33.59,;48.06,-36.7,;49.39,-35.93,;50.71,-36.71,;50.71,-38.25,;49.37,-39.01,;48.06,-38.23,;45.46,-28.94,)|
Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402498
PNG
(CHEMBL2204043)
Show SMILES FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:18.18,21.25,(48.13,-27.4,;46.8,-26.63,;46.8,-25.09,;48.12,-25.84,;45.46,-27.39,;44.12,-26.61,;42.77,-27.37,;42.77,-28.91,;44.1,-29.69,;44.1,-31.25,;42.77,-32.04,;42.77,-33.59,;41.43,-34.36,;40.09,-33.59,;38.74,-34.38,;40.09,-32.04,;41.44,-31.27,;41.44,-29.73,;44.08,-34.36,;44.08,-35.9,;45.39,-36.68,;46.73,-35.92,;46.73,-34.38,;45.41,-33.59,;48.06,-36.7,;49.39,-35.93,;50.71,-36.71,;50.71,-38.25,;49.37,-39.01,;48.06,-38.23,;45.46,-28.94,)|
Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair