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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Arylsulfatase' AND taxid = 573   
Target
(Institution)
LigandTarget
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
Arylsulfatase


(Klebsiella pneumoniae)
BDBM50400983
PNG
(CHEMBL2205726)
Show SMILES [NH3+]CCOCCOCCNC(=O)C(F)c1ccc(OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C14H21FN2O7S/c15-13(11-1-3-12(4-2-11)24-25(19,20)21)14(18)17-6-8-23-10-9-22-7-5-16/h1-4,13H,5-10,16H2,(H,17,18)(H,19,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 8.00E+5n/an/an/an/an/an/a



Bielefeld University

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae aryl sulfatase after 0.5 hrs by para-nitrocatechol sulfate-based colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arylsulfatase


(Klebsiella pneumoniae)
BDBM50400984
PNG
(CHEMBL2205725)
Show SMILES OS(=O)(=O)Oc1ccccc1C(F)F
Show InChI InChI=1S/C7H6F2O4S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4,7H,(H,10,11,12)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.00E+7n/an/an/an/an/an/a



Bielefeld University

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae aryl sulfatase after 20 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair