new BindingDB logo
myBDB logout

BDBM50113300 Acetic acid 4-(2-benzo[1,3]dioxol-5-yl-5-oxo-oxazol-4-ylidenemethyl)-2-chloro-6-ethoxy-phenyl ester::CHEMBL309082

SMILES: CCOc1cc(\C=C2\N=C(OC2=O)c2ccc3OCOc3c2)cc(Cl)c1OC(C)=O

InChI Key: InChIKey=LRSWYANUPQMKCQ-VIZOYTHASA-N

Data: 1 IC50

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 = 50113300   
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))
BDBM50113300
PNG
(Acetic acid 4-(2-benzo[1,3]dioxol-5-yl-5-oxo-oxazo...)
Show SMILES CCOc1cc(\C=C2\N=C(OC2=O)c2ccc3OCOc3c2)cc(Cl)c1OC(C)=O |c:8|
Show InChI InChI=1S/C21H16ClNO7/c1-3-26-18-8-12(6-14(22)19(18)29-11(2)24)7-15-21(25)30-20(23-15)13-4-5-16-17(9-13)28-10-27-16/h4-9H,3,10H2,1-2H3/b15-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.50E+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