Name: Human Phosphatases Annotated Library
Brand: Arctom Scientific
SKU: CD-SL-000186

Human Phosphatases Annotated Library

Format & Volume

10 μL/well Solution

30 μL/well Solution

50 μL/well Solution

100 μL/well Solution

Compounds

160

PDF Excel SDF

ATTRIBUTES

Store

Catalog

CD-SL-000186

Brand

ChemDiv

OVERVIEW

Description

•Phosphatases are enzymatic proteins that dephosphorylate other functional proteins

•Physiologically the phosphatases enzymatic activity can be modulated by

-Catalytic phosphate site binders
-Allosteric binders that cause conformational changes within the catalytic site

•Phosphatases are interesting therapeutic targets for

-Oncology, e.g. cancer immunotherapy
-Metabolic diseases, e.g. diabetes, obesity
-Infections, e.g. antibacterial, antiviral

A unique collection of small molecule compounds with annotated activities for Phosphatases protein targets

Annotated activities : 25 phosphatase targets
Express Delivery : 160 compounds
Complete Version : 225 compounds

Library Composition

Data sources of annotations : Pharos, ChEMBL 25, PubChem, PubMed, Current Patent Literature (CAS, Integrity)

IDNUMBER – ChemDiv Catalog ID (in some instances the same IDNUMBER might have multiple annotation entries due to multiple data sources or because having activity against multiple similar targets);

UNIPROT – SwissProt and ChEMBL Target accesion ID;

Type – character of the measured activity;

Value – Active compounds selection criteria, included only compounds with reported activities < 5 µM;

pubmed_id – PubMed record entry;

doi, patent_id – journal or patent reference to a publication of original data;

For screening data extracted from PubChem, see column assay_description for entry names PUBCHEM_BIOASSAY

Example of Annotations - an Excel file structure

IDNUMBER	UNIPROT	Target Name	Type	Relation	Value	Units	pubmed_id	doi	patent_id	Target Description	assay_description
H025-3231	O14976	Serine/threonine-protein kinase GAK	Kd	=	2700	nM	22037378	10.1038/nbt.1990		Cyclin-G-associated kinase	Binding constant for GAK kinase domain
Y203-7358	P34913	Epoxide hydratase	IC50	=	700	nM	19746975	10.1021/jm9005302		Bifunctional epoxide hydrolase 2	Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay
7547-4118	P05186	Alkaline phosphatase tissue-nonspecific isozyme	IC50	=	1130	nM	19821572	10.1021/jm900383s		Alkaline phosphatase tissue-nonspecific isozyme	Inhibition of TNAP transfected in african green monkey COS1 cells by colorimetric assay
4032-1302	Q13822	Autotaxin	IC50	=	56	nM	20536182	10.1021/jm1005012		Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate
8005-8111	P08575	Leukocyte common antigen	IC50	=	700	nM	11356112	10.1021/jm000447i		Receptor-type tyrosine-protein phosphatase C	In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyrosine phosphatase using pNPP as the substrate
R092-0051	Q13332	Receptor-type tyrosine-protein phosphatase S	IC50	=	4300	nM	26602279	10.1016/j.bmcl.2015.11.026		Receptor-type tyrosine-protein phosphatase S	Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis
4489-1466	O75365	Protein-tyrosine phosphatase 4A3	IC50	=	1100	nM	23726031	10.1016/j.bmcl.2013.04.092		Protein tyrosine phosphatase type IVA 3	Inhibition of human His6-tagged full length PRL3 assessed as inhibition of DiFMUP dephosphorylation
0111-0158	P34913	Epoxide hydratase	IC50	=	1.6	nM	22079754	10.1016/j.bmcl.2011.10.074		Bifunctional epoxide hydrolase 2	Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay
2817-4329	P18031	Protein-tyrosine phosphatase 1B	Ki	=	3000	nM	21420867	10.1016/j.bmc.2011.02.047		Tyrosine-protein phosphatase non-receptor type 1	Inhibition of PTP1B

Publications

1.J. Med. Chem. 2009 52(21):6716-6723. Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells. Wu S Vossius S Rahmouni S Miletic AV Vang T Vazquez-Rodriguez J Cerignoli F Arimura Y Williams S Hayes T Moutschen M Vasile S Pellecchia M Mustelin T Tautz L.

2.J. Med. Chem. 2001 44(24):4042-4049. Discovery and biological evaluation of a new family of potent inhibitors of the dual specificity protein phosphatase Cdc25. Lazo JS Aslan DC Southwick EC Cooley KA Ducruet AP Joo B Vogt A Wipf P.

3.J. Med. Chem. 2017 60(18):7703-7724. A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. Schmidt J Rotter M Weiser T Wittmann S Weizel L Kaiser A Heering J Goebel T Angioni C Wurglics M Paulke A Geisslinger G Kahnt A Steinhilber D Proschak E Merk D.

4.Bioorg. Med. Chem. Lett. 2009 19(1):222-225. Design and synthesis of pyrazole derivatives as potent and selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP). Sidique S Ardecky R Su Y Narisawa S Brown B Millán JL Sergienko E Cosford ND.

5.J. Med. Chem. 2009 52(21):6919-6925. Discovery and validation of a series of aryl sulfonamides as selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP). Dahl R Sergienko EA Su Y Mostofi YS Yang L Simao AM Narisawa S Brown B Mangravita-Novo A Vicchiarelli M Smith LH O'Neill WC Millán JL Cosford ND.

6.Bioorg. Med. Chem. Lett. 2006 16(19):5212-5216. Synthesis and SAR of conformationally restricted inhibitors of soluble epoxide hydrolase. Jones PD Tsai HJ Do ZN Morisseau C Hammock BD.

7.Bioorg. Med. Chem. Lett. 2009 19(8):2240-2243. Design and synthesis of isoform-selective phospholipase D (PLD) inhibitors. Part II. Identification of the 138-triazaspiro[45]decan-4-one privileged structure that engenders PLD2 selectivity. Lavieri R Scott SA Lewis JA Selvy PE Armstrong MD Alex Brown H Lindsley CW.