BindingDB logo
myBDB logout

BDBM14256 4-bromo-3-(carboxymethoxy)-5-(4-acetamidophenyl)thiophene-2-carboxylic acid::Monocyclic thiophene analog 25

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

InChI Key: InChIKey=JXXOSNFBTRSEIJ-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14256   
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))
BDBM14256
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-acetamidophenyl)th...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H12BrNO6S/c1-7(18)17-9-4-2-8(3-5-9)13-11(16)12(23-6-10(19)20)14(24-13)15(21)22/h2-5H,6H2,1H3,(H,17,18)(H,19,20)(H,21,22)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/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)