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BDBM50356062 CHEMBL1911660

SMILES: CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O

InChI Key: InChIKey=MTJXQXWQRBOMIO-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 = 50356062   
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))
BDBM50356062
PNG
(CHEMBL1911660)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C24H26F3NO4S/c1-22(2,19-12-18(33(3,30)31)11-16-8-9-32-21(16)19)14-23(29,24(25,26)27)13-17-10-15-6-4-5-7-20(15)28-17/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
PDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a>2.00E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human HeLa cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase trans...


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))
BDBM50356062
PNG
(CHEMBL1911660)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C24H26F3NO4S/c1-22(2,19-12-18(33(3,30)31)11-16-8-9-32-21(16)19)14-23(29,24(25,26)27)13-17-10-15-6-4-5-7-20(15)28-17/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
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Article
PubMed
n/an/a>2.00E+3n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356062
PNG
(CHEMBL1911660)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C24H26F3NO4S/c1-22(2,19-12-18(33(3,30)31)11-16-8-9-32-21(16)19)14-23(29,24(25,26)27)13-17-10-15-6-4-5-7-20(15)28-17/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
PDB

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PC sid
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Article
PubMed
n/an/a 100n/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))
BDBM50356062
PNG
(CHEMBL1911660)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C24H26F3NO4S/c1-22(2,19-12-18(33(3,30)31)11-16-8-9-32-21(16)19)14-23(29,24(25,26)27)13-17-10-15-6-4-5-7-20(15)28-17/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
PDB
MMDB

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n/an/a 610n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356062
PNG
(CHEMBL1911660)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
Show InChI InChI=1S/C24H26F3NO4S/c1-22(2,19-12-18(33(3,30)31)11-16-8-9-32-21(16)19)14-23(29,24(25,26)27)13-17-10-15-6-4-5-7-20(15)28-17/h4-7,10-12,28-29H,8-9,13-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6n/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