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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50198964'   
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))
BDBM50198964
PNG
((S)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198964
PNG
((S)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198964
PNG
((S)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair