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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 = 'BDBM124240'   
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))
BDBM124240
PNG
(N,N'-(biphenyl-4,4'-diyl)bis(1-benzoylpipe...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1)C1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C38H38N4O4/c43-35(29-19-23-41(24-20-29)37(45)31-7-3-1-4-8-31)39-33-15-11-27(12-16-33)28-13-17-34(18-14-28)40-36(44)30-21-25-42(26-22-30)38(46)32-9-5-2-6-10-32/h1-18,29-30H,19-26H2,(H,39,43)(H,40,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.65E+3n/an/an/an/an/an/a



Jiangnan University



Assay Description
IC50 values were determined by pNPP assay.


Bioorg Med Chem Lett 24: 1889-94 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.015
BindingDB Entry DOI: 10.7270/Q2PC3122
More data for this
Ligand-Target Pair