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Ever-expanding collection of 3 million compounds

Screening Libraries & HTS

NEWS

August 23, 2019

August 23, 2019

Ion Channel and PPI Libraries now available pre-plated!

In continuation of our efforts to make affordable screening libraries that can quickly be supplied for screening, we have plated two new targeted libraries designed to bring high quality and novelty to your hit finding program. Both freshly-made libraries are ready for fast shipment within only one week in various formats including assay-ready plates.

Ion Channel Library contains 36 800 compounds.

Protein-Protein Interaction Library has 40 640 compounds including 8 960 Protein Mimetics.

120 000 Fragment compounds
including 10 000 covalent binders

Fragments

NEWS

June 25, 2019

June 25, 2019

Enamine’s covalent fragments
produce potent and unique hits

In a recent JACS paper several academic groups collaborated on discovery of novel covalent inhibitors using a library of 993 acrylamides and chloroacetamides sourced from Enamine’s covalent fragment collection. The design was focusing on mild electrophiles that were supposed to overcome the selectivity challenge. The library was characterized by a new high-throughput thiol-reactivity assay and screened against 10 cysteine-containing proteins. Potent and unique primary hits have been found in the majority (7 out of 10) of cases.

A refined library used in the research with a few frequent hitters and excessively reactive fragments removed is available from Enamine on request >

Ref.: J. Am. Chem. Soc. 2019, 141, 8951−8968

Reach out to new chemical space breaking the availability bias:
11 000 000 000 molecules and beyond

REAL compounds

NEWS

June 24, 2019

June 24, 2019

Atomwise and Enamine to Advance Pediatric Oncology With the World’s First and Largest Ten Billion Compound Virtual Screen

10 Billion REAL compounds will be searched using AI powered drug screening platform to find novel small molecules for the treatment of pediatric cancers. In collaboration with academic researchers, Atomwise and Enamine said the “10-to-the-10 program” will seek to maximize the opportunity to develop drugs for new target proteins to inhibit cancer growth and metastasis. Read PRESS RELEASE >

The world’s largest collection of building blocks in stock:
175 916 and counting

New Building Blocks

A broad test panel to support lead discovery
Integrated projects or a-la-carte service

ADME/T & in-vivo PK

Scientific research and development of techniques for the synthesis of organic compounds

High Fidelity Fragments

High Fidelity Library

Fragments of high MedChem tractability  

REAL Database

The largest enumerated database of synthetically feasible molecules

Functional Compounds

Impurity Reference Standards
 

Covalent Fragments

Covalent Fragments

Diverse covalent warheads with balanced reactivity

2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from August 2019

Recent News

  • 05 September 2019   News

    Enamine to boost synthesis of DNA-Encoded Libraries

    Meet our delegates at International Symposium on DEL in Zurich to learn on our approaches in selecting DEL-compatible building blocks and on our advances in intriguing designs of novel chemotypes >>>

  • 23 August 2019   News

    Ion Channel and PPI Libraries now available pre-plated!

    In continuation of our efforts to make affordable screening libraries that can quickly be supplied for screening, we have plated two new targeted libraries designed to bring high quality and novelty to your hit finding program. Both freshly-made libraries are ready for fast shipment within only one week in various formats including assay-ready plates.

  • 25 June 2019   News

    Enamine’s covalent fragments produce potent and unique hits

    In a recent JACS paper several academic groups collaborated on discovery of novel covalent inhibitors using a library of 993 acrylamides and chloroacetamides sourced from Enamine’s covalent fragment collection. The design was focusing on mild electrophiles that were supposed to overcome the selectivity challenge. The library was characterized by a new high-throughput thiol-reactivity assay and screened against 10 cysteine-containing proteins. Potent and unique primary hits have been found in the majority (7 out of 10) of cases.

Upcoming events

DKK-1 Inhibitors library

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3 010 compounds

We used both docking and ligand-based approaches to assemble this subset. Specifically, the DKK1/LRP6 protein-protein interaction (PPI) interface was utilized to select matching ligands from our selection of drug-like compounds (2 634 231 total available molecules). For the docking approach we took into consideration data on analogues of NCI8642, a reported DKK-1/LRP6 interaction inhibitor. Specifically, we focused our design on topological and charge distribution features of the critical Dkk-1 loop that binds to LRP6. We reasoned that blocking/destabilizing this loop feature of the DKK-1/LRP6 PPI may yield modulators and/or activators of Wnt signaling while maintaining ‘normal’ Wnt-Fz-LRP6 signaling.

Fig. 1.Binding interface between LRP6 protein and representative ligand from the focused subset.

For the ligand-based approach we used known DKK-1 inhibitor WAY 262611.

Total library size is 3 014 lead-like compounds.

Fig. 2.(a) Pharmacophore model based on WAY-316606; orange – aromatic/heteroaromatic groups, green-hydrophobic pharmacophore (halogen, CF 3, CHF 2, Me, Et, iPr etc.), blue-positively charged moiety ( +NH 3Alk, +NH 2Alk 2, +NHAlk 3etc.); (b) Superposition of WAY-316606 and our pharmacophore construct used in (sub)library design.

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