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BDBM14260 4-bromo-3-(carboxymethoxy)-5-[4-(phenylcarbamoyl)phenyl]thiophene-2-carboxylic acid::Monocyclic thiophene analog 29

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(cc1)C(=O)Nc1ccccc1

InChI Key: InChIKey=ZEMIXMQOAQEUEU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14260   
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))
BDBM14260
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(phenylcarbamoyl)p...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H14BrNO6S/c21-15-16(28-10-14(23)24)18(20(26)27)29-17(15)11-6-8-12(9-7-11)19(25)22-13-4-2-1-3-5-13/h1-9H,10H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
2.50E+3 -7.64n/an/an/an/an/an/a25



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