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BDBM50113296 2-Hydroxy-4-[5-(4-oxo-3-phenyl-2-phenylimino-thiazolidin-5-ylidenemethyl)-furan-2-yl]-benzoic acid anion

SMILES: Oc1cc(ccc1C([O-])=O)-c1ccc(\C=C2\S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)o1

InChI Key: InChIKey=MJVADLMEVAQXKX-VEDQWSTJSA-M

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113296   
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))
BDBM50113296
PNG
(2-Hydroxy-4-[5-(4-oxo-3-phenyl-2-phenylimino-thiaz...)
Show SMILES Oc1cc(ccc1C([O-])=O)-c1ccc(\C=C2\S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)o1
Show InChI InChI=1S/C27H18N2O5S/c30-22-15-17(11-13-21(22)26(32)33)23-14-12-20(34-23)16-24-25(31)29(19-9-5-2-6-10-19)27(35-24)28-18-7-3-1-4-8-18/h1-16,30H,(H,32,33)/p-1/b24-16+,28-27-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 9.00E+3n/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