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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402500'   
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))
BDBM50402500
PNG
(CHEMBL2204041)
Show SMILES CCc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.27,-28.43,;9.93,-29.19,;8.61,-28.41,;8.61,-26.86,;7.26,-26.08,;5.92,-26.84,;5.92,-28.38,;7.24,-29.16,;7.24,-30.72,;5.91,-31.51,;5.91,-33.06,;4.57,-33.83,;3.24,-33.06,;1.89,-33.85,;3.24,-31.51,;4.59,-30.74,;4.59,-29.2,;7.23,-33.83,;7.23,-35.37,;8.54,-36.15,;9.88,-35.39,;9.88,-33.85,;8.55,-33.06,;11.2,-36.17,;12.53,-35.4,;13.85,-36.18,;13.85,-37.72,;12.51,-38.48,;11.2,-37.7,)|
Show InChI InChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29)/t19-,20+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
19n/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))
BDBM50402500
PNG
(CHEMBL2204041)
Show SMILES CCc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.27,-28.43,;9.93,-29.19,;8.61,-28.41,;8.61,-26.86,;7.26,-26.08,;5.92,-26.84,;5.92,-28.38,;7.24,-29.16,;7.24,-30.72,;5.91,-31.51,;5.91,-33.06,;4.57,-33.83,;3.24,-33.06,;1.89,-33.85,;3.24,-31.51,;4.59,-30.74,;4.59,-29.2,;7.23,-33.83,;7.23,-35.37,;8.54,-36.15,;9.88,-35.39,;9.88,-33.85,;8.55,-33.06,;11.2,-36.17,;12.53,-35.4,;13.85,-36.18,;13.85,-37.72,;12.51,-38.48,;11.2,-37.7,)|
Show InChI InChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29)/t19-,20+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
78n/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