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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50116816'   
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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50116816
PNG
(4-Sulfamoyloxy-benzoic acid ethyl ester | CHEMBL79...)
Show SMILES CCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C9H11NO5S/c1-2-14-9(11)7-3-5-8(6-4-7)15-16(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase


Bioorg Med Chem Lett 14: 605-9 (2004)


BindingDB Entry DOI: 10.7270/Q2H132K6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50116816
PNG
(4-Sulfamoyloxy-benzoic acid ethyl ester | CHEMBL79...)
Show SMILES CCOC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C9H11NO5S/c1-2-14-9(11)7-3-5-8(6-4-7)15-16(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 12: 2391-4 (2002)


BindingDB Entry DOI: 10.7270/Q2S75GV2
More data for this
Ligand-Target Pair