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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50265801'   
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))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
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Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
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Article
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15n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of dexamethasone-induced tyrosine amino transferase activi...


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair