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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50415810'   
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))
BDBM50415810
PNG
(CHEMBL1091440 | US10272074, Example 30)
Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(nc(C)c3c2Cl)-c2ccccc2)cc1
Show InChI InChI=1S/C26H22ClN5O2/c1-15-23-24(27)21(14-28-25(23)32(30-15)20-7-5-4-6-8-20)26(33)29-13-18-9-11-19(12-10-18)22-16(2)31-34-17(22)3/h4-12,14H,13H2,1-3H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv...


Bioorg Med Chem Lett 20: 2340-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.133
BindingDB Entry DOI: 10.7270/Q2SF2XDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50415810
PNG
(CHEMBL1091440 | US10272074, Example 30)
Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(nc(C)c3c2Cl)-c2ccccc2)cc1
Show InChI InChI=1S/C26H22ClN5O2/c1-15-23-24(27)21(14-28-25(23)32(30-15)20-7-5-4-6-8-20)26(33)29-13-18-9-11-19(12-10-18)22-16(2)31-34-17(22)3/h4-12,14H,13H2,1-3H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2.75E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The assay was performed using H4 neuroglioma cells and using indirect immunofluorescence detection of the endogenous GR receptor. Fixative: 4% PFA. P...


J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q29P33Z7
More data for this
Ligand-Target Pair