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SMILES: CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12

InChI Key: InChIKey=JQWWVWSTEMLGBL-UHFFFAOYSA-N

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 = 50423195   
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))
BDBM50423195
PNG
(CHEMBL393011)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423195
PNG
(CHEMBL393011)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423195
PNG
(CHEMBL393011)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423195
PNG
(CHEMBL393011)
Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair