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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 350.3
BDBM50597084

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

Found 3 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))
BDBM50597084
PNG
(CHEMBL5174401)
Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597084
PNG
(CHEMBL5174401)
Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
201n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597084
PNG
(CHEMBL5174401)
Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.36E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair