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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1B' and Ligand = 'BDBM50113293'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50113293
PNG
(4-[4-Oxo-5-(3-phenyl-allylidene)-2-thioxo-thiazoli...)
Show SMILES [O-]C(=O)c1ccc(cc1)N1C(=S)S\C(=C\C=C\c2ccccc2)C1=O
Show InChI InChI=1S/C19H13NO3S2/c21-17-16(8-4-7-13-5-2-1-3-6-13)25-19(24)20(17)15-11-9-14(10-12-15)18(22)23/h1-12H,(H,22,23)/p-1/b7-4+,16-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 4.40E+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