More

Run HTS directly at Enamine or have your copy from
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

Express Lead Library

Readily accessible lead-like libraries based on Enamine's latest core building blocks with unique underrepresented structures

5.82 M compounds

Express Lead Library (ELL) is an extension of REAL database focusing on novel screening compounds that can be synthesized from the most recently synthesized building blocks. Having the largest building block inventory Enamine continues its expansion. Each month it is enriched with 2,000 new functionalized compounds synthesized in-house. Many of them feature results of our latest research in medchem-driven organic synthesis. Following our doctrine of accelerating drug discovery it’s important to make such chemotypes available for biological screening as soon as possible. We have selected only unusual building blocks that contain at least 2 rings or 7-membered rings. They are called “core building blocks” as they bear essential molecular complexity rendering novelty to the enumerated compound libraries. All terms of REAL database including synthesis time of 3 weeks with at least 85% success rate are also valid for supplies from ELL. It is recommended as an abundant source of selected novel compounds in Compound Collection Enhancement programs and virtual screening projects.

  • 1 592 New building blocks synthesized in 2015-2017
  • Exclusivity. Over 90 % are offered on the market only by Enamine
  • Unique underrepresented structures. The selected building blocks have no close analogues in stock and have not been largely used for library synthesis: > 92 % have less than 25 derivatives in our stock screening collection
  • Essential molecular complexity. Fragment complexity > 600

ELL molecules

  • 5.82 Million new compounds
  • Lead-like physicochemical profiles: MW < 350, sLogP < 3.5 or MW < 400, sLogP < 3, rotatable bonds < 6 (no long chains, < 4 open-chain atoms), aromatic rings < 3 (at least one heteroaromatic)
  • Balanced diversity, no singletons: 107 572 Murcko frameworks, > 5 molecules/framework, 92 % has < 100 molecules/framework
  • No toxic or unwanted groups. Filters applied: PAINS, NO2, CN, ester, triflate, sulfoxide, open-chain sulfide, terminal alkyne, carbamate, Boc-, Fmoc-, aryl/alkyl bromide/iodide, aldehyde, 2-halo pyridine/pyrimidine, oxamides

FOLLOW US