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BDBM50113301 4-(3-Benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzoic acid anion

SMILES: [O-]C(=O)c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1

InChI Key: InChIKey=LAVHHMWKUVBWIF-XNTDXEJSSA-M

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 = 50113301   
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))
BDBM50113301
PNG
(4-(3-Benzyl-4-oxo-2-thioxo-thiazolidin-5-ylideneme...)
Show SMILES [O-]C(=O)c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C18H13NO3S2/c20-16-15(10-12-6-8-14(9-7-12)17(21)22)24-18(23)19(16)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)/p-1/b15-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.16E+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