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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50372926'   
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))
BDBM50372926
PNG
(CHEMBL411852)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCC#N)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C30H33FN4O3S/c1-29(2,3)23-5-11-27(12-6-23)39(36,37)34-15-13-24-17-28-22(18-30(24,20-34)21-38-16-4-14-32)19-33-35(28)26-9-7-25(31)8-10-26/h5-12,17,19H,4,13,15-16,18,20-21H2,1-3H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/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))
BDBM50372926
PNG
(CHEMBL411852)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCC#N)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C30H33FN4O3S/c1-29(2,3)23-5-11-27(12-6-23)39(36,37)34-15-13-24-17-28-22(18-30(24,20-34)21-38-16-4-14-32)19-33-35(28)26-9-7-25(31)8-10-26/h5-12,17,19H,4,13,15-16,18,20-21H2,1-3H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.10n/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