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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402499'   
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))
BDBM50402499
PNG
(CHEMBL2204042)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.17,19.24,(27.25,-29.65,;25.92,-28.87,;25.92,-27.33,;24.58,-26.54,;23.23,-27.3,;23.23,-28.84,;24.56,-29.63,;24.56,-31.19,;23.23,-31.97,;23.23,-33.53,;21.89,-34.29,;20.55,-33.53,;19.2,-34.32,;20.55,-31.98,;21.9,-31.21,;21.9,-29.67,;24.54,-34.3,;24.54,-35.84,;25.85,-36.61,;27.19,-35.85,;27.19,-34.31,;25.87,-33.53,;28.52,-36.63,;29.85,-35.87,;31.17,-36.64,;31.17,-38.19,;29.83,-38.95,;28.52,-38.17,)|
Show InChI InChI=1S/C23H23ClN2O2/c24-20-9-5-4-8-18(20)14-19-21(25-23(28)26-22(19)27)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H2,25,26,27,28)/t16-,17+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402499
PNG
(CHEMBL2204042)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.17,19.24,(27.25,-29.65,;25.92,-28.87,;25.92,-27.33,;24.58,-26.54,;23.23,-27.3,;23.23,-28.84,;24.56,-29.63,;24.56,-31.19,;23.23,-31.97,;23.23,-33.53,;21.89,-34.29,;20.55,-33.53,;19.2,-34.32,;20.55,-31.98,;21.9,-31.21,;21.9,-29.67,;24.54,-34.3,;24.54,-35.84,;25.85,-36.61,;27.19,-35.85,;27.19,-34.31,;25.87,-33.53,;28.52,-36.63,;29.85,-35.87,;31.17,-36.64,;31.17,-38.19,;29.83,-38.95,;28.52,-38.17,)|
Show InChI InChI=1S/C23H23ClN2O2/c24-20-9-5-4-8-18(20)14-19-21(25-23(28)26-22(19)27)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H2,25,26,27,28)/t16-,17+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair