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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.9
BDBM50558136

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

Found 2 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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558136
PNG
(CHEMBL4563704)
Show SMILES CC[C@](C(=O)NC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50558136
PNG
(CHEMBL4563704)
Show SMILES CC[C@](C(=O)NC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair