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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50326951'   
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))
BDBM50326951
PNG
(4-Pyrimidin-5-yl-2-[4,4,4-trifluoro-3-hydroxy-1,1-...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cncnc1
Show InChI InChI=1S/C24H23F3N4O2/c1-22(2,19-8-15(3-4-21(19)32)17-10-29-14-30-11-17)13-23(33,24(25,26)27)9-18-7-16-5-6-28-12-20(16)31-18/h3-8,10-12,14,31-33H,9,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326951
PNG
(4-Pyrimidin-5-yl-2-[4,4,4-trifluoro-3-hydroxy-1,1-...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cncnc1
Show InChI InChI=1S/C24H23F3N4O2/c1-22(2,19-8-15(3-4-21(19)32)17-10-29-14-30-11-17)13-23(33,24(25,26)27)9-18-7-16-5-6-28-12-20(16)31-18/h3-8,10-12,14,31-33H,9,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair