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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50296393'   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50296393
PNG
((2S)-2-Butoxy-3-(4-{4-[(3R)-1,2-dithiolan-3-yl]but...)
Show SMILES CCCCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H31NO4S2/c1-2-3-13-26-19(21(24)25)15-16-8-10-17(11-9-16)22-20(23)7-5-4-6-18-12-14-27-28-18/h8-11,18-19H,2-7,12-15H2,1H3,(H,22,23)(H,24,25)/t18-,19+/m1/s1
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Similars

Article
PubMed
n/an/a 358n/an/an/an/an/an/a



Glenmark Research Center

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Eur J Med Chem 44: 3147-57 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG
More data for this
Ligand-Target Pair