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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for UniProtKB: P18031   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50142317
PNG
((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br
Show InChI InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29)
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Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) expressed in sf9 cells


J Med Chem 61: 5822-5880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01788
BindingDB Entry DOI: 10.7270/Q232008T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)