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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 = 'BDBM50113303'   
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))
BDBM50113303
PNG
(2-Chloro-4-{5-[1-(3-chloro-phenyl)-3-methyl-5-oxo-...)
Show SMILES [O-]C(=O)c1ccc(cc1Cl)-c1ccc(C=c2c(=C)[nH]n(-c3cccc(Cl)c3)c2=O)o1 |w:14.14|
Show InChI InChI=1S/C22H14Cl2N2O4/c1-12-18(21(27)26(25-12)15-4-2-3-14(23)10-15)11-16-6-8-20(30-16)13-5-7-17(22(28)29)19(24)9-13/h2-11,25H,1H2,(H,28,29)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a 1.93E+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