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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50041954'   
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))
BDBM50041954
PNG
(CHEMBL3358933)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C24H27F4N3O2/c1-22(2,17-4-3-5-18(25)12-17)15-23(32,24(26,27)28)13-19-10-16-11-21(29-14-20(16)30-19)31-6-8-33-9-7-31/h3-5,10-12,14,30,32H,6-9,13,15H2,1-2H3
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
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041954
PNG
(CHEMBL3358933)
Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C24H27F4N3O2/c1-22(2,17-4-3-5-18(25)12-17)15-23(32,24(26,27)28)13-19-10-16-11-21(29-14-20(16)30-19)31-6-8-33-9-7-31/h3-5,10-12,14,30,32H,6-9,13,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair