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Human Ion Channels Annotated Library

Human Ion Channels Annotated Library

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Libraries
  • Short
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Format
  • 384 well plates
    • Greiner #781270 225uL sealed with foil
    • 1, 2, 23, 24 empty;
    • 100uL of 10mM
  • 96 well plates
    • Greiner #651201 335uL sealed with foil
    • empty cols 1 & 12
    • 100uL of 10mM
  • 96 well plates
    • Matrix #4247 96-well 1.4ml sealed with capmats
    • empty cols 1 & 12
    • 100uL of 10mM
  • -
$5,280
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Your city: California, United States
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.
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