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BDBM50116819 4-Sulfamoyloxy-benzoic acid methyl ester::CHEMBL311899

SMILES: COC(=O)c1ccc(OS(N)(=O)=O)cc1

InChI Key: InChIKey=LPYVSRFVXYNNGX-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50116819   
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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50116819
PNG
(4-Sulfamoyloxy-benzoic acid methyl ester | CHEMBL3...)
Show SMILES COC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C8H9NO5S/c1-13-8(10)6-2-4-7(5-3-6)14-15(9,11)12/h2-5H,1H3,(H2,9,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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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))
BDBM50116819
PNG
(4-Sulfamoyloxy-benzoic acid methyl ester | CHEMBL3...)
Show SMILES COC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C8H9NO5S/c1-13-8(10)6-2-4-7(5-3-6)14-15(9,11)12/h2-5H,1H3,(H2,9,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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 was determined


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


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