BindingDB logo
myBDB logout

null

SMILES: CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12

InChI Key: InChIKey=AEYUJQIHDRFOMU-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 7 hits for monomerid = 50411481   
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))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 102n/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))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 74.1n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.17n/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))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15.1n/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))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 257n/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))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 8.32n/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))
BDBM50411481
PNG
(CHEMBL393349)
Show SMILES CC1(CC(O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C24H25F3N2O/c1-22(12-5-8-17-6-2-3-9-20(17)22)15-23(30,24(25,26)27)16-29-21-10-4-7-18-14-28-13-11-19(18)21/h2-4,6-7,9-11,13-14,29-30H,5,8,12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.71n/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