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Compile Data Set for Download or QSAR

Found 2 hits of ki data for polymerid = 50004086,50006228   
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
Arylsulfatase


(Pseudomonas aeruginosa)
BDBM50098109
PNG
(3-nitrophenyl sulfamate | CHEMBL283560 | Sulfamic ...)
Show SMILES NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
130n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa recombinant arylsulfatase A expressed in Escherichia coli


Bioorg Med Chem Lett 19: 477-80 (2008)

More data for this
Ligand-Target Pair
Arylsulfatase


(Pseudomonas aeruginosa)
BDBM50400985
PNG
(CHEMBL2205724)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)C(F)F
Show InChI InChI=1S/C7H6F2O4S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4,7H,(H,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90E+4n/an/an/an/an/an/an/an/a



Bielefeld University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa aryl sulfatase after 20 mins by spectrophotometry


Bioorg Med Chem 20: 622-7 (2012)

More data for this
Ligand-Target Pair