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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50449063'   
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))
BDBM50449063
PNG
(CHEMBL3126942)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O
Show InChI InChI=1S/C19H19F4N3O2/c1-17(2,13-4-3-11(20)5-16(13)27)9-18(28,19(21,22)23)7-12-6-14-15(26-12)8-24-10-25-14/h3-6,8,10,26-28H,7,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence pol...


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50449063
PNG
(CHEMBL3126942)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O
Show InChI InChI=1S/C19H19F4N3O2/c1-17(2,13-4-3-11(20)5-16(13)27)9-18(28,19(21,22)23)7-12-6-14-15(26-12)8-24-10-25-14/h3-6,8,10,26-28H,7,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair