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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 2' and Ligand = 'BDBM50096223'   
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))
BDBM50096223
PNG
(CHEMBL3593817)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C33H47N5O6S/c1-5-21(2)30-29(40)20-37-16-10-8-15-28(37)33(43)34-25(13-9-11-17-45-22(3)39)31(41)35-26(32(42)36-30)18-23-19-38(44-4)27-14-7-6-12-24(23)27/h6-7,12,14,19,21,25-26,28,30H,5,8-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21?,25-,26-,28+,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.19E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair