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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 22' and Ligand = 'BDBM50132459'   
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 22


(Homo sapiens (Human))
BDBM50132459
PNG
(5-{2-tert-Butoxycarbonylamino-2-[4-(2-methoxycarbo...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H38N2O12/c1-17(26(35)36)43-22-12-11-18(15-19(22)27(37)38)16-20(32-29(40)44-30(2,3)4)25(34)31-13-6-7-14-42-23-10-8-9-21(33)24(23)28(39)41-5/h8-12,15,17,20,33H,6-7,13-14,16H2,1-5H3,(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t17?,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.73E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-cell Protein Tyrosine Phosphatase (TCPTP)


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair