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BDBM50444202 CHEMBL3093454

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F

InChI Key: InChIKey=NXRVYSZNJVQSEI-UHFFFAOYSA-N

Data: 4 IC50

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 = 50444202   
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))
BDBM50444202
PNG
(CHEMBL3093454)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444202
PNG
(CHEMBL3093454)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50444202
PNG
(CHEMBL3093454)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50444202
PNG
(CHEMBL3093454)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay


Bioorg Med Chem Lett 23: 6640-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.052
BindingDB Entry DOI: 10.7270/Q2DN46G5
More data for this
Ligand-Target Pair