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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50372962'   
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))
BDBM50372962
PNG
(CHEMBL271019)
Show SMILES Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 |w:6.5,c:12|
Show InChI InChI=1S/C29H25F2N3O2S/c30-24-8-6-21(7-9-24)17-29-18-22-19-32-34(26-12-10-25(31)11-13-26)28(22)16-23(29)14-15-33(20-29)37(35,36)27-4-2-1-3-5-27/h1-13,16,19H,14-15,17-18,20H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.20n/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))
BDBM50372962
PNG
(CHEMBL271019)
Show SMILES Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 |w:6.5,c:12|
Show InChI InChI=1S/C29H25F2N3O2S/c30-24-8-6-21(7-9-24)17-29-18-22-19-32-34(26-12-10-25(31)11-13-26)28(22)16-23(29)14-15-33(20-29)37(35,36)27-4-2-1-3-5-27/h1-13,16,19H,14-15,17-18,20H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
36n/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