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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402502'   
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))
BDBM50402502
PNG
(CHEMBL2204038)
Show SMILES O=c1[nH]c([C@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1 |r,wU:4.3,wD:7.10,(17.05,-11.54,;18.4,-10.75,;19.73,-11.51,;21.07,-10.74,;22.39,-11.52,;23.71,-10.75,;25.04,-11.53,;25.04,-13.07,;23.7,-13.83,;22.39,-13.06,;26.36,-13.85,;27.69,-13.09,;29.01,-13.86,;29.01,-15.41,;27.67,-16.17,;26.36,-15.39,;21.07,-9.19,;22.4,-8.41,;22.4,-6.85,;23.77,-6.09,;23.77,-4.55,;22.42,-3.76,;21.08,-4.52,;21.08,-6.06,;19.75,-8.43,;19.75,-6.89,;18.4,-9.2,)|
Show InChI InChI=1S/C23H24N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,24,25,26,27)/t18-,19-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4n/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))
BDBM50402502
PNG
(CHEMBL2204038)
Show SMILES O=c1[nH]c([C@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1 |r,wU:4.3,wD:7.10,(17.05,-11.54,;18.4,-10.75,;19.73,-11.51,;21.07,-10.74,;22.39,-11.52,;23.71,-10.75,;25.04,-11.53,;25.04,-13.07,;23.7,-13.83,;22.39,-13.06,;26.36,-13.85,;27.69,-13.09,;29.01,-13.86,;29.01,-15.41,;27.67,-16.17,;26.36,-15.39,;21.07,-9.19,;22.4,-8.41,;22.4,-6.85,;23.77,-6.09,;23.77,-4.55,;22.42,-3.76,;21.08,-4.52,;21.08,-6.06,;19.75,-8.43,;19.75,-6.89,;18.4,-9.2,)|
Show InChI InChI=1S/C23H24N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,24,25,26,27)/t18-,19-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
44n/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