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BDBM50411049 CHEMBL190838

SMILES: Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccccc34)C(F)(F)F)cc12

InChI Key: InChIKey=LVBXWCZTJPHGHX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50411049   
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))
BDBM50411049
PNG
(CHEMBL190838)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H21F3N2O4/c1-13-19-11-16(9-10-18(19)20(29)32-28-13)27-21(30)22(31,23(24,25)26)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,31H,4,6-7,12H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
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Article
PubMed
n/an/a 7.90n/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))
BDBM50411049
PNG
(CHEMBL190838)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H21F3N2O4/c1-13-19-11-16(9-10-18(19)20(29)32-28-13)27-21(30)22(31,23(24,25)26)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,31H,4,6-7,12H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

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Article
PubMed
n/an/a 562n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity for Glucocorticoid receptor in MMTV transactivation assay in human A549 lung epithelial cells at 10 uM


J Med Chem 48: 4507-10 (2005)


Article DOI: 10.1021/jm050345y
BindingDB Entry DOI: 10.7270/Q2T43VCV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411049
PNG
(CHEMBL190838)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H21F3N2O4/c1-13-19-11-16(9-10-18(19)20(29)32-28-13)27-21(30)22(31,23(24,25)26)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,31H,4,6-7,12H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 562n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity for Glucocorticoid receptor in MMTV transactivation assay in human A549 lung epithelial cells at 10 uM


J Med Chem 48: 4507-10 (2005)


Article DOI: 10.1021/jm050345y
BindingDB Entry DOI: 10.7270/Q2T43VCV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411049
PNG
(CHEMBL190838)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4ccccc34)C(F)(F)F)cc12
Show InChI InChI=1S/C23H21F3N2O4/c1-13-19-11-16(9-10-18(19)20(29)32-28-13)27-21(30)22(31,23(24,25)26)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,31H,4,6-7,12H2,1H3,(H,27,30)
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