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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 2' and Ligand = 'BDBM310925'   
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 2


(Homo sapiens (Human))
BDBM310925
PNG
(((5-Bromo-2-(Methoxycarbonyl)Benzo[b]Thiophen-6-yl...)
Show SMILES COC(=O)c1cc2cc(Br)c(cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C11H8BrF2O5PS/c1-19-10(15)9-3-5-2-7(12)6(4-8(5)21-9)11(13,14)20(16,17)18/h2-4H,1H3,(H2,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Activity of the compounds of this application may be evaluated using the following assays for TC-PTP-inhibiting activity. Compounds of Formula I will...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BC43GJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310925
PNG
(((5-Bromo-2-(Methoxycarbonyl)Benzo[b]Thiophen-6-yl...)
Show SMILES COC(=O)c1cc2cc(Br)c(cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C11H8BrF2O5PS/c1-19-10(15)9-3-5-2-7(12)6(4-8(5)21-9)11(13,14)20(16,17)18/h2-4H,1H3,(H2,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)


BindingDB Entry DOI: 10.7270/Q2QJ7KC8
More data for this
Ligand-Target Pair