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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402478'   
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))
BDBM50402478
PNG
(CHEMBL2204063)
Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:6.5,9.12,(3.45,-26.67,;4.78,-27.44,;4.78,-28.99,;3.43,-29.78,;6.11,-29.75,;7.45,-28.98,;8.77,-29.76,;8.77,-31.3,;10.08,-32.07,;11.42,-31.31,;11.42,-29.77,;10.09,-28.99,;12.74,-32.09,;14.07,-31.33,;15.39,-32.1,;15.39,-33.65,;14.05,-34.41,;12.74,-33.63,;7.45,-27.43,;8.78,-26.65,;8.78,-25.08,;7.45,-24.3,;7.45,-22.76,;8.8,-22,;10.14,-22.79,;10.14,-24.33,;11.48,-22.02,;12.81,-22.79,;11.48,-20.48,;12.8,-21.24,;6.13,-26.66,;6.13,-25.13,)|
Show InChI InChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)/t18-,19+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
16n/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))
BDBM50402478
PNG
(CHEMBL2204063)
Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:6.5,9.12,(3.45,-26.67,;4.78,-27.44,;4.78,-28.99,;3.43,-29.78,;6.11,-29.75,;7.45,-28.98,;8.77,-29.76,;8.77,-31.3,;10.08,-32.07,;11.42,-31.31,;11.42,-29.77,;10.09,-28.99,;12.74,-32.09,;14.07,-31.33,;15.39,-32.1,;15.39,-33.65,;14.05,-34.41,;12.74,-33.63,;7.45,-27.43,;8.78,-26.65,;8.78,-25.08,;7.45,-24.3,;7.45,-22.76,;8.8,-22,;10.14,-22.79,;10.14,-24.33,;11.48,-22.02,;12.81,-22.79,;11.48,-20.48,;12.8,-21.24,;6.13,-26.66,;6.13,-25.13,)|
Show InChI InChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)/t18-,19+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
162n/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