Compound InformationScreening and Probe Development Assays
CompoundStructureCIDSIDMLSSource: MLSSourced Outside MLChem SynthVendorVendor Cat IDVIM-2 Primary HTS [AID 1527] (%Inhibition)IMP-1 Primary HTS [AID 1556] (%Inhibition)VIM-2 Dose Response [AID 1919] (IC50, μM)VIM-2 CCF2 Dose Response [AID 1926] (IC50, μM)IMP-1 CCF2 Dose Response [AID 1927] (IC50, μM)VIM-2 Ki Assay [AID 2128] (Ki)VIM-2 Powder Assay [AID 2128] (IC50, μM)IMP-1 Dose Response [AID 2128] (IC50, μM)TEM-1 Dose Response [AID 2128] (IC50, μM)
VIM-2 Selective PROBE
Image ml121fu10.jpg
487049424790728MLS 000680027YesYesNoLife ChemF1734-0049Active (84.22)Inactive (4.15)Active (0.054)Active (0.034)Inactive (>60.0)Active (148 ± 14 nM) (non-competitive)Active # (0.223 ± 0.003)Inactive (>60)Inactive (>60)
Analog 1
Image ml121fu11.jpg
32430074249000MLS 000085438YesNoNoChem Div6194-0087Active (8.85)Inactive (2.84)See below^
Analog 2
Image ml121fu12.jpg
370846514727633MLS 000549994YesNoNoSpecsAF-399/ 42057249Inactive (6.76)Inactive (−3.32)See below
Analog 3
Image ml121fu13.jpg
32435124249579MLS 000085437YesNoNoChem Div6194-0084Inactive (5.97)Inactive (−2.38)
Analog 4
Image ml121fu14.jpg
441422714733407MLS 000529675YesNoNoLife ChemF1422-0004Inactive (4.01)Inactive (−0.56)
Analog 5
Image ml121fu15.jpg
32358254240758MLS 000094210YesNoNoChem DivD008-0255Inactive (1.92)Inactive (−1.86)
Prior Art: Mitoxantrone
Image ml121fu16.jpg
5458171 (4212)56424031 (85856281)MLS 001333711YesYesNoSigma AldrichM6545This compound was not part of the MLSMR collectionActive* (1.5 ± 0.2 μM) (non- competitive)Active# * (0.63 ± 0.04)Inactive (>56)Inactive (>25)
*

These values are taken from Reference Minond et al 2009 and can be found in PubChem AID 2317.

#

Please refer to the Ki values (rather than these IC50 values) for a more complete representation of the mechanism of action and potency for these inhibitors.

^

SID 4249000 met the 7.06% inhibition cutoff to be Active in AID1527. However, it was not tested in subsequent assays due to its low % inhibition, compared to the probe (84.22%).

Compounds were not tested due to inactivity in the VIM2 Primary assay [AID 1527].

From: HTS Assay for Discovery of Novel Metallo-Beta-lactamase (MBL) Inhibitors

Cover of Probe Reports from the NIH Molecular Libraries Program
Probe Reports from the NIH Molecular Libraries Program [Internet].

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