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BDBM50188788 CHEMBL214241::ammonium N-{4-[2-(3-methanesulfonylpropyl)-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamate

SMILES: COC(=O)C(CCCS(C)(=O)=O)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC

InChI Key: InChIKey=OOIAKCOYIHRLGW-UHFFFAOYSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188788   
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
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM50188788
PNG
(CHEMBL214241 | ammonium N-{4-[2-(3-methanesulfonyl...)
Show SMILES COC(=O)C(CCCS(C)(=O)=O)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC
Show InChI InChI=1S/C16H23NO9S2/c1-25-14(18)16(15(19)26-2,9-4-10-27(3,20)21)11-12-5-7-13(8-6-12)17-28(22,23)24/h5-8,17H,4,9-11H2,1-3H3,(H,22,23,24)/p-1
PDB

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HPTPbeta


Bioorg Med Chem Lett 16: 4252-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.074
BindingDB Entry DOI: 10.7270/Q2D50MK4
More data for this
Ligand-Target Pair