BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.4
BDBM50444391

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444391
PNG
(CHEMBL3094467)
Show SMILES CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H27NO3S/c1-6-18(12-17-7-8-19(22)14(3)11-17)21-25(23,24)20-15(4)9-13(2)10-16(20)5/h7-11,18,21-22H,6,12H2,1-5H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor (unknown origin) expressed in baculovirus-infected insect cells by fluorescence polarization assay


Bioorg Med Chem Lett 23: 6645-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.047
BindingDB Entry DOI: 10.7270/Q2VQ345N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50444391
PNG
(CHEMBL3094467)
Show SMILES CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H27NO3S/c1-6-18(12-17-7-8-19(22)14(3)11-17)21-25(23,24)20-15(4)9-13(2)10-16(20)5/h7-11,18,21-22H,6,12H2,1-5H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human foreskin fibroblasts assessed as IL-1-mediated IL-6 synthesis after 24 hrs


Bioorg Med Chem Lett 23: 6645-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.047
BindingDB Entry DOI: 10.7270/Q2VQ345N
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50444391
PNG
(CHEMBL3094467)
Show SMILES CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H27NO3S/c1-6-18(12-17-7-8-19(22)14(3)11-17)21-25(23,24)20-15(4)9-13(2)10-16(20)5/h7-11,18,21-22H,6,12H2,1-5H3/t18-/m0/s1
PDB
MMDB

KEGG

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

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mineralocorticoid receptor (unknown origin) expressed in baculovirus-infected insect cells by fluorescence polarization assay


Bioorg Med Chem Lett 23: 6645-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.047
BindingDB Entry DOI: 10.7270/Q2VQ345N
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50444391
PNG
(CHEMBL3094467)
Show SMILES CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H27NO3S/c1-6-18(12-17-7-8-19(22)14(3)11-17)21-25(23,24)20-15(4)9-13(2)10-16(20)5/h7-11,18,21-22H,6,12H2,1-5H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of progesterone receptor (unknown origin) expressed in baculovirus-infected insect cells by fluorescence polarization assay


Bioorg Med Chem Lett 23: 6645-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.047
BindingDB Entry DOI: 10.7270/Q2VQ345N
More data for this
Ligand-Target Pair