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BDBM50411042 CHEMBL377176

SMILES: Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c3cccc4[N+]([O-])=O)C(F)(F)F)cc12

InChI Key: InChIKey=BFPGMZNBQDECJA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50411042   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411042
PNG
(CHEMBL377176)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c3cccc4[N+]([O-])=O)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20F3N3O6/c1-12-18-10-14(8-9-17(18)20(30)35-28-12)27-21(31)22(32,23(24,25)26)11-13-4-2-6-16-15(13)5-3-7-19(16)29(33)34/h3,5,7-10,13,32H,2,4,6,11H2,1H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of fluorescent-labeled Dexamethasone binding to GR


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411042
PNG
(CHEMBL377176)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c3cccc4[N+]([O-])=O)C(F)(F)F)cc12
Show InChI InChI=1S/C23H20F3N3O6/c1-12-18-10-14(8-9-17(18)20(30)35-28-12)27-21(31)22(32,23(24,25)26)11-13-4-2-6-16-15(13)5-3-7-19(16)29(33)34/h3,5,7-10,13,32H,2,4,6,11H2,1H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells


J Med Chem 49: 4216-31 (2006)

Checked by Author
Article DOI: 10.1021/jm060302x
BindingDB Entry DOI: 10.7270/Q2BC40SB
More data for this
Ligand-Target Pair