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BDBM14264 4-bromo-3-(carboxymethoxy)-5-{4-[(methoxycarbonyl)amino]phenyl}thiophene-2-carboxylic acid::Monocyclic thiophene analog 33

SMILES: COC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br

InChI Key: InChIKey=MFECYDRNZFGTFU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14264   
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14264
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(methoxycarbonyl)...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H12BrNO7S/c1-23-15(22)17-8-4-2-7(3-5-8)12-10(16)11(24-6-9(18)19)13(25-12)14(20)21/h2-5H,6H2,1H3,(H,17,22)(H,18,19)(H,20,21)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)