Protein Protein Interaction

 

Product Name: Format/SizeDescriptionsDownload
PPI Library
(Non-Macrocyclic)
9662 compounds
For cherry-picking
Update: 2016-11
ASINEX has been working on the design and synthesis of protein-protein interaction (PPI) libraries since 2008. The file contains all available PPI (non-macrocyclic) compounds selected from ourSignature & BioDesign Libraries.For more information, please download >>>sdf-icon pdf-icon
PPI Library
(Macrocyclic)
9384 compounds
For cherry-picking
Update: 2016-11
The file contains all available PPI (macrocyclic) compounds selected from ourSignature & BioDesign Libraries.For more information, please download >>>sdf-icon pdf-icon
SL#001
Mcl-1 Apoptosis
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has developed several acylsulfonamide derivatives with Mcl-1 binding potency and improved physico-chemical characteristics. For more information, please download >>>sdf-icon pdf-icon
SL#002
Bcl-xL Apoptosis
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has identified dihydrobenzofurane as a functional a-helix mimetic displaying uM Bcl-xL binding affinity determined by a fluorescence polarization assay. For more information, please download >>>sdf-icon pdf-icon
SL#011
MDM2-p53 (α-Helix mimetics)
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has performed in-silico analyses of common structural futures of known MDM2 antagonists to build up a predictive pharmacophore model [1]. Several ɑ-helix mimetic scaffolds were selected as p53 backbone mimetics and p53 binding epitope mimetics [2,3]. The in vitro potency of compounds was confirmed in a fluorescence polarization assay, with the IC50s ranging from 1 to 10 µM. For more information, please download >>>sdf-icon pdf-icon
SL#025
BH3 mimetics
80 compounds
Pre-Plated Set
Release: 2016
Extensive in-vitro screening of ASINEX’s natural product-like compound and α-helix mimetic collections against Bcl-2 family proteins has resulted in a series of polycyclic acids showing µM inhibitory activity of Bcl-xL. In silico simulations suggest a possible binding mode mimicking hot spot interactions of the native pro-apoptotic BAK peptide by projecting hydrophobic substituents such as Leu578, Ile581 and Ile585 of Bak. For more information, please download >>>sdf-icon pdf-icon
SL#032
Macrocyclic BH3 mimetics
80 compounds
Pre-Plated Set
Release: 2016
Extensive in vitro screening of the Asinex Macrocyclic collection has revealed a series of molecules showing a μM range of activity against anti-apototic proteins Bcl-2 and Mcl-1. In silico modeling studies suggest that some active macrocycles can adopt a-helix-mimetic conformations that effectively mimic the BH3-epitope of pro-apoptotic peptides (e.g. Bak, Bax). For more information, please download >>>sdf-icon pdf-icon
SL#033
PD1/PD-L1 inhibitors
80 compounds
Pre-Plated Set
Release: 2016
By utilizing a combination of scaffold hopping and structure-based design strategies ASINEX has developed a library of small molecules for IDO1 drug discovery. Selected compounds have shown significant IDO1 inhibitory activity in vitro as measured in the enzymatic biochemical assays. For more information, please download >>>sdf-icon pdf-icon
SL#034
Macrocyclic β-turn mimetics
80 compounds
Pre-Plated Set
Release: 2016
Asinex has created a library of partially peptidic macrocyclic beta-turn mimetics that are able to reproduce the orientation of key amino-acid side chains forming a b-turn-like motif. For more information, please download >>>sdf-icon pdf-icon
SL#054
Menin-MLL inhibitors (PPI)
80 compounds
Pre-Plated Set
Release: 2016
2D similarity search through ASINEX’s compound collection has resulted in several thienopyrimidine-based analogs, close analogs of MI-503. Such analogs could be interesting chemical probes for MLL-directed research. For more information, please download >>>sdf-icon pdf-icon
References:
1. J Med Chem. 2015 Feb 12;58(3):1038-52. doi: 10.1021/jm501092z
2. Med. Chem. Commun., 2013, 4, 1597-1603 doi: 10.1039/C3MD00211J
3. Chem Biol Drug Des. 2014 Nov;84(5):585-92. doi: 10.1111/cbdd.12351

 

You may also like:

Product Name: Format/SizeDescriptionsDownload
α-Helix Mimetics8882 compounds
For cherry-picking
Update: 2016-11
It is well known that α-helix mimetics are biologically active in a number of therapeutically significant protein-protein interactions (PPIs). The file contains all available α-Helix mimetics selected from ourSignature & BioDesign Libraries.For more information, please download >>>sdf-icon pdf-icon
SL#030
α-Helix mimetics
80 compounds
Pre-Plated Set
Release: 2016
Using extensive computer modeling supported by in vitro experiments, ASINEX has created a number of structurally sophisticated, novel molecules based on the tetrahydropyrane scaffold that work as effective epitope mimetics of more than 20 various helical protein interfaces (e.g. ATG3/ATG12, Bcl-2, Aquaporin 2, Protein S100-A9). For more information, please download >>>sdf-icon pdf-icon
SL#032
Macrocyclic BH3 mimetics
80 compounds
Pre-Plated Set
Release: 2016
Extensive in vitro screening of the Asinex Macrocyclic collection has revealed a series of molecules showing a μM range of activity against anti-apototic proteins Bcl-2 and Mcl-1. In silico modeling studies suggest that some active macrocycles can adopt a-helix-mimetic conformations that effectively mimic the BH3-epitope of pro-apoptotic peptides (e.g. Bak, Bax). For more information, please download >>>sdf-icon pdf-icon

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