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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 = 'BDBM124221'   
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))		BDBM124221
PNG
(({2-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)
Show SMILES NS(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C36H25Br2F4N6O5PS/c37-27-14-21-10-12-23(44-30(21)16-25(27)35(39,40)54(50,51)52)18-34(33(49)20-6-2-1-3-7-20,48-32-9-5-4-8-29(32)46-47-48)19-24-13-11-22-15-28(38)26(17-31(22)45-24)36(41,42)55(43)53/h1-17H,18-19,43H2,(H2,50,51,52)
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
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Similars
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair