Name: Human Ion Channels Annotated Library
Brand: Arctom Scientific
SKU: CD-SL-000187

Human Ion Channels Annotated Library

Format & Volume

10 μL/well Solution

30 μL/well Solution

50 μL/well Solution

100 μL/well Solution

Compounds

320

PDF Excel SDF

ATTRIBUTES

Store

Catalog

CD-SL-000187

Brand

ChemDiv

OVERVIEW

Description

• Ion channels are pore-forming proteins that allow the flow of ions across membranes
• Physiologically the Ion Channels are regulated by

– voltage, e.g. most Na, K, Ca and some Cl channels are “voltage-gated ion channels”
– intracellular and/or extracellular mediators, e.g. some K and Cl channels, TRP channels, GABA(A) and
P2X receptors are “ligand-gated ion channels”

• Ion channels are well recognized as important therapeutic targets for diseases of

– the central nervous system (CNS), e.g. sleep disorders, anxiety, epilepsy, pain
– the peripheral nervous system, e.g. anticonvulsant, analgesic, anti-inflammatory
– the cardiovascular system, e.g. ischemia, hypoxic conditions, stroke

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

❑ Annotated activities : 86 ion channels targets
❑ Express Delivery : 320 compounds
❑ Complete Version : 394 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
8005-3627	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	Ki	=	120	nM			US-8541447-B2	Neuronal acetylcholine receptor subunit alpha-7	Binding Assay: Binding assay using alpha 7 nAChR.
3882-1710	Q14654	Sulfonylurea receptor 2 Kir6.2	Ki	=	130	nM	9464357	10.1021/jm970762d		ATP-sensitive inward rectifier potassium channel 11	Binding affinity was determined by displacement of [3H]P1075 from its binding sites in canine cardiac membranes
4120-0157	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	EC50	=	1200	nM	12646036	10.1021/jm020465v		Gamma-aminobutyric acid receptor subunit alpha-1	Ability to enhance currents from alpha-1-beta-2-gamma-2L-subunit of GABA receptor elicited by low concentrations of GABA
6264-0421	Q05586	Glutamate [NMDA] receptor	IC50	=	600	nM	1433216	10.1021/jm00100a019		Glutamate receptor ionotropic NMDA 1	Inhibition of [3H]1 binding to dextromethorpin binding site of guinea pig microsomal pellet P3 N-methyl-D-aspartate glutamate receptor
6264-0421	Q12809	HERG	IC50	=	1470	nM	21300721	10.1093/cvr/cvr044		Potassium voltage-gated channel subfamily H member 2	Inhibition of hERG K channel
R090-0022	P46098	Serotonin 3 (5-HT3) receptor	Ki	=	2500	nM	8831767	10.1021/jm9603936		5-hydroxytryptamine receptor 3A	Compound was tested for the inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells
0106-0141	Q99572	P2X purinoceptor 7	Kd	=	79.43	nM	14592505	10.1016/j.bmcl.2003.08.034		P2X purinoceptor 7	Antagonistic activity against the P2X7 ion channel
3389-0874	Q8TDD5	MCOLN3 protein	EC50	=	1450	nM				Mucolipin-3	PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for agonists of the transient receptor potential channel ML3 (TRPML3).

Publications

1.Bioorg Med Chem Lett. 2010 20(23):7076-9. 5-benzyloxytryptamine as an antagonist of TRPM8. DeFalco J, Steiger D, Dourado M, Emerling D, Duncton MA.

2.J Med Chem. 2005 48(1):71-90. Discovery of potent, orally available vanilloid receptor-1 antagonists. Structure-activity relationship of N-aryl cinnamides. Doherty EM, Fotsch C, Bo Y, Chakrabarti PP, Chen N, Gavva N, Han N, Kelly MG, Kincaid J, Klionsky L, Liu Q, Ognyanov VI, Tamir R, Wang X, Zhu J, Norman MH, Treanor JJ.

3.J Med Chem. 2006 49(8):2526-33. 4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling. Lager E, Andersson P, Nilsson J, Pettersson I, Nielsen EØ, Nielsen M, Sterner O, Liljefors T.

4.J Med Chem. 1996 39(20):4017-26. Structure-activity relationships for the binding of arylpiperazines and arylbiguanides at 5-HT3 serotonin receptors. Dukat M, Abdel-Rahman AA, Ismaiel AM, Ingher S, Teitler M, Gyermek L, Glennon RA.

5.Bioorg Med Chem Lett. 2017 27(16):3931-3938. Discovery and development of a novel class of phenoxyacetyl amides as highly potent TRPM8 agonists for use as cooling agents. Noncovich A, Priest C, Ung J, Patron AP, Servant G, Brust P, Servant N, Faber N, Liu H, Gonsalves NS, Ditschun TL.

6.J Med Chem. 2015 58(7):2958-2966. Ensemble-based virtual screening for cannabinoid-like potentiators of the human glycine receptor α1 for the treatment of pain. Wells MM, Tillman TS, Mowrey DD, Sun T, Xu Y, Tang P.

7.J Med Chem. 2005 48(23):7496-9. Random chemistry as a new tool for the generation of small compound libraries: development of a new acetylcholinesterase inhibitor. Kapková P, Heller E, Unger M, Folkers G, Holzgrabe U.

8.J Med Chem. 2016 59(18):8398-411. Preparation, Antiepileptic Activity, and Cardiovascular Safety of Dihydropyrazoles as Brain-Penetrant T-Type Calcium Channel Blockers. Remen L, Bezençon O, Simons L, Gaston R, Downing D, Gatfield J, Roch C, Kessler M, Mosbacher J, Pfeifer T, Grisostomi C, Rey M, Ertel EA, Moon R.