ActiTarg-N library of 1040 analogs is selected from a compound pool with cumulative structural features that are inherent across some 90 known nuclear receptors ligands.
Nuclear Receptors ligands analogs compound pool started with “de-fragmented” active molecules. TimTec stock was scanned to identify molecules with the same fragments, which re-assembled themselves in new chemical possibilities. Additional computational manipulations drew in more compounds with overall structural similarity to known nuclear receptors ligands. Further filtering ensured structural diversity in the final selection.
ActiTarg-N being a part of TimTec ActiTarg Series reflects preferred “focused diversity” library design approach providing structurally versatile chemical material relevant to a certain target .
Compounds are available for cherry-picking and/or as an entire collection of 1040 compounds in 96, 384-well plates and in vials.
Contact us for structural info, formatting options and pricing.
Nuclear Receptors target pool:
Nuclear receptors are inside-cell proteins that regulate gene transcription and affect wide range of biological functions throughout organism normal and pathological development. These are the superfamily of 48 structurally related transcription factors that can be regulated by small molecules.
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Lund B.W., et.al. Discovery of a Potent, Orally Available, and Isoform-Selective Retinoic Acid β2 Receptor Agonist. J. Med. Chem., 2005, 48 (24), pp 7517–7519
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Zhou H-B, et.al. Structure-Guided Optimization of Estrogen Receptor Binding Affinity and Antagonist Potency of Pyrazolopyrimidines with Basic Side Chains. J. Med. Chem., 2007, 50 (2), pp 399–403
Prante O., et. al. Synthesis, Radiofluorination, and In Vitro Evaluation of Pyrazolo[1,5-a]pyridine-Based Dopamine D4 Receptor Ligands: Discovery of an Inverse Agonist Radioligand for PET. J. Med. Chem., 2008, 51 (6), pp 1800–1810
Azadeh M., et al. 7-Hydroxy-benzopyran-4-one Derivatives: A Novel Pharmacophore of Peroxisome Proliferator-Activated Receptor α and -γ (PPARα and γ) Dual Agonists. J. Med. Chem., 2009, 52 (21), pp 6835–6850
Repo, S., et.al. Ligand Specificity of Constitutive Androstane Receptor as Probed by Induced-Fit Docking and Mutagenesis. J. Med. Chem., 2008, 51 (22), pp 7119–7131
ActiTarg-N is one of TimTec targeted libraries. Other targeted screening collections of interest are:
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