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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50372952'   
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))
BDBM50372952
PNG
(CHEMBL271263)
Show SMILES Fc1ccc(CC23CN(Cc4ccccc4)CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)cc1 |w:6.5,c:20|
Show InChI InChI=1S/C30H27F2N3/c31-26-8-6-22(7-9-26)17-30-18-24-19-33-35(28-12-10-27(32)11-13-28)29(24)16-25(30)14-15-34(21-30)20-23-4-2-1-3-5-23/h1-13,16,19H,14-15,17-18,20-21H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372952
PNG
(CHEMBL271263)
Show SMILES Fc1ccc(CC23CN(Cc4ccccc4)CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)cc1 |w:6.5,c:20|
Show InChI InChI=1S/C30H27F2N3/c31-26-8-6-22(7-9-26)17-30-18-24-19-33-35(28-12-10-27(32)11-13-28)29(24)16-25(30)14-15-34(21-30)20-23-4-2-1-3-5-23/h1-13,16,19H,14-15,17-18,20-21H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
245n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair