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 our Signature & 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 our Signature & 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.
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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.
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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.
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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.
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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).
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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.
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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.
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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.
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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 our Signature & 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).
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
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).
Structures are available,"click here"and downlaod "File#1 (1/5) Signature Libraries.
pdf-icon

Please click here for List of all Signature Libraries.

 

 

 

 

 

Top