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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50415790'   
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))
BDBM50415790
PNG
(CHEMBL1093774 | GSK-1564023A | US10272074, Example...)
Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(C)nc(C)c3c2Cl)cc1
Show InChI InChI=1S/C21H20ClN5O2/c1-11-18-19(22)16(10-23-20(18)27(4)25-11)21(28)24-9-14-5-7-15(8-6-14)17-12(2)26-29-13(17)3/h5-8,10H,9H2,1-4H3,(H,24,28)
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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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))
BDBM50415790
PNG
(CHEMBL1093774 | GSK-1564023A | US10272074, Example...)
Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(C)nc(C)c3c2Cl)cc1
Show InChI InChI=1S/C21H20ClN5O2/c1-11-18-19(22)16(10-23-20(18)27(4)25-11)21(28)24-9-14-5-7-15(8-6-14)17-12(2)26-29-13(17)3/h5-8,10H,9H2,1-4H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 275n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50415790
PNG
(CHEMBL1093774 | GSK-1564023A | US10272074, Example...)
Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(C)nc(C)c3c2Cl)cc1
Show InChI InChI=1S/C21H20ClN5O2/c1-11-18-19(22)16(10-23-20(18)27(4)25-11)21(28)24-9-14-5-7-15(8-6-14)17-12(2)26-29-13(17)3/h5-8,10H,9H2,1-4H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>6.31E+3n/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as renilla luciferase transactivation activity


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