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BDBM50356055 CHEMBL1911655

SMILES: CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12

InChI Key: InChIKey=NNTHLQVZGURUAX-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50356055   
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))
BDBM50356055
PNG
(CHEMBL1911655)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356055
PNG
(CHEMBL1911655)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3
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Article
PubMed
n/an/an/an/a 311n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor in HFF assessed as induction of aromatase activity by measuring beta-estradiol activity after 18 ...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356055
PNG
(CHEMBL1911655)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3
PDB

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PC sid
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50356055
PNG
(CHEMBL1911655)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant mineralocorticoid receptor expressed in baculovirus infected insect...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50356055
PNG
(CHEMBL1911655)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 225n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled RU-486 from human recombinant progesterone receptor expressed in baculovirus infected insect cells by fl...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair