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ActiProbe-25 Collection
The ActiProbe-25 Collection is a
pre-plated screening set of 25,000
compounds that has been assembled from
molecules representative of the
chemical diversity being produced by
labs throughout the world. In addition
to adherence to Lipinski parameters,
dozens of filters have eliminated
undesirable atoms, functionality and
fragments in creating a library that
will provide exceptionally good
chemical starting points for hit and
ADMET optimization.
Purity of compounds in this, and
all our collections, is
generally>/= 95% as determined by
high-field 1H-NMR and/or MS. Spectra
can be supplied on compounds in
electronic format. This collection is
available in Matrix plates with 1.4 mL
removable tubes or CoStar 96-well
microtiter plates with 80 compounds
per plate.
Prices for ActiProbe-25 are $75,500
for 0.5 mg- and $110,000 for the 1
mg-sets.
(Prices are valid
until March 31, 2006)
ActiProbe-10 Collection
The ActiProbe-10 Collection is a
pre-plated screening set of 10,000
compounds that has been assembled from
the ActiProbe-25 library through
Jarvis-Patrick clustering. J-P
clustering permits sampling of large
library pools through selection of
molecules that are representative of a
group (cluster) within this library.
Molecular characterization is by 2D
fragment descriptors consisting of a
central atom and neighboring atoms
connected to it within a predefined
sphere size -- bonds between central
and edge atoms. Groups of molecules
are based on the structural similarity
of fingerprints (bit strings of these
fragments), and the centroid has the
highest degree of similarity to other
members of a cluster. Chemically
unique compounds (singletons) with low
similarity to other members of the
collection are also identified.
Sampling libraries are created from
centroid and singleton selection along
with augmentation with other members
from the largest groups.
ActiProbe-10 is also available in
0.5 and 1.0 mg portions in the plates
described above. The cost is $31,500
for the 0.5-mg and $47,500 for the 1
mg sets. (Prices are valid
until March 31, 2006)
ActiGlobe-50 Collection
The ActiGlobe-50 Collection is a
pre-plated screening set of 50,000
compounds that has been assembled from
world wide sources numbering over
2,000,000 compounds. In addition to
adherence to Lipinski parameters,dozens
of filters have eliminated
undesirable atoms, functionality and
fragments. Sampling of this filtered
consolidated library is through
Jarvis-Patrick clustering that selects
molecules representative of a group
(cluster) with similar structural
features within this library.
Molecular characterization is by 2D
fragment descriptors, and groups of
molecules are based on the structural
similarity of fingerprints (bit
strings of these fragments). The
centroid of a cluster has the highest
degree of similarity to other members
of the group. Compounds that are
chemically unique because of low
similarity to other members of the
collection are also identified
(singletons). Sampling is done through
centroid and singleton selection along
with augmentation with other members
from larger cluster groups.
ActiGlobe-50 is available in 0.5
and 1.0 mg portions in the plates
described above. The cost is $145,000
for the 0.5 mg- and $195,000 for the 1
mg-sets. (Prices are valid
until March 31, 2006)
ActiTarg-G Collection
The ActiTarg-G Collection is a
pre-plated screening set of molecules
that contain chemical lattices present
in compounds reported in the technical
or patent literature to possess
GPCR-ligand properties. From our
collection of over 7000 compounds in
more than 15 different chemical series
we have assembled a pre-filtered
diversity collection of 1600 compounds
(20 plates) that should provide a high
value screening library of drug-like
molecules for identifying synthesis
direction for the development of new
GPCR ligands. Structural constraints
and novel pendants within these
lattices provide the structural
variability to identify new chemical
directions for hit optimization.
ActiTarg-G is available in 0.5 and
1.0 mg portions in the plates
described above. Contact us for
pricing
ActiTarg-K Collection
The ActiTarg-K Collection is a
pre-plated screening set of molecules
that contain chemical lattices present
in compounds reported in the technical
or patent literature to possess
protein kinase inhibiting properties.
From our collection of over 4000
compounds in a variety of different
chemical series we have assembled a
pre-filtered diversity collection of
960 compounds (12 plates) that should
provide a high value screening library
of drug-like molecules for identifying
synthesis direction for new protein
kinase inhibitors. Structural
constraints and novel pendants within
these molecules provide the structural
variability to identify new chemical
directions for hit optimization.
ActiTarg-G is available in 0.5 and
1.0 mg portions in the plates
described above. Contact us for
pricing
ActiTarg-P Collection
The ActiTarg-P Collection is a
pre-plated screening set of molecules
that contain chemical lattices present
in compounds reported in the technical
or patent literature to possess
various protease-inhibiting
properties. From our collection of
about 1100 compounds in several
different chemical series we have
assembled a pre-filtered diversity
collection of 240 compounds (3 plates)
that provide a screening library with
drug-like representatives from each of
these chemical series for identifying
synthesis direction for new protease
inhibitors. Structural constraints and
novel pendants within these molecules
provide the structural variability to
identify new chemical directions for
hit optimization.
ActiTarg-P is available in 0.5 and
1.0 mg portions in the plates
described above.
Contact us for pricing
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ActiMol Compound Collections