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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 = 'BDBM50132467'   
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))		BDBM50132467
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(1-carb...)
Show SMILES CCC(CC(O)=O)N(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1
Show InChI InChI=1S/C33H43N3O12/c1-6-21(19-26(38)39)36(29(41)30(42)43)22-14-12-20(13-15-22)18-23(35-32(45)48-33(2,3)4)28(40)34-16-7-8-17-47-25-11-9-10-24(37)27(25)31(44)46-5/h9-15,21,23,37H,6-8,16-19H2,1-5H3,(H,34,40)(H,35,45)(H,38,39)(H,42,43)/t21?,23-/m0/s1
PDB

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Similars
PubMed
 9.30E+3n/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)


BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair