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SMILES: CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12

InChI Key: InChIKey=YTXMUOSDKIUWKU-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 9 hits for monomerid = 50411485   
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))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
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Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
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Article
PubMed
n/an/a 245n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha...


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
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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 glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
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Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/a 11.2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/an/an/a 61.7n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transactivation assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 64.6n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transactivation assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 57.5n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411485
PNG
(CHEMBL235800)
Show SMILES CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 14.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair