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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50372932'   
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))
BDBM50372932
PNG
(CHEMBL256894)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:26|
Show InChI InChI=1S/C27H29FN4O2S/c28-23-8-10-24(11-9-23)32-26-16-22-12-15-31(35(33,34)25-6-2-1-3-7-25)20-27(22,17-21(26)18-29-32)19-30-13-4-5-14-30/h1-3,6-11,16,18H,4-5,12-15,17,19-20H2/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.5n/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))
BDBM50372932
PNG
(CHEMBL256894)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:26|
Show InChI InChI=1S/C27H29FN4O2S/c28-23-8-10-24(11-9-23)32-26-16-22-12-15-31(35(33,34)25-6-2-1-3-7-25)20-27(22,17-21(26)18-29-32)19-30-13-4-5-14-30/h1-3,6-11,16,18H,4-5,12-15,17,19-20H2/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.90n/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