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BDBM50113294 2-[2-(5-Bromo-furan-2-carbonyloxy)-acetylamino]-benzothiazole-6-carboxylic acid methyl ester::CHEMBL71709

SMILES: COC(=O)c1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1

InChI Key: InChIKey=FDHNQBFMNZANTF-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113294   
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


(Homo sapiens (Human))
BDBM50113294
PNG
(2-[2-(5-Bromo-furan-2-carbonyloxy)-acetylamino]-be...)
Show SMILES COC(=O)c1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1
Show InChI InChI=1S/C16H11BrN2O6S/c1-23-14(21)8-2-3-9-11(6-8)26-16(18-9)19-13(20)7-24-15(22)10-4-5-12(17)25-10/h2-6H,7H2,1H3,(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.44E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide


J Med Chem 45: 2213-21 (2002)


BindingDB Entry DOI: 10.7270/Q2SB46F1
More data for this
Ligand-Target Pair