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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50221153'   
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))
BDBM50221153
PNG
((R)-8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulf...)
Show SMILES COc1ccc(C[C@]23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
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Article
PubMed
4n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221153
PNG
((R)-8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulf...)
Show SMILES COc1ccc(C[C@]23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221153
PNG
((R)-8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulf...)
Show SMILES COc1ccc(C[C@]23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
352n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair