Compound name
T-26c
Protein family
MMP
Target name
MMP13
Affinity biochemical (nM)
0.0069
CG-Set
Protease set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000729a
SMILES
COc1cccc(CNC(C2NC(c3c(COCc4ccc(cc4)C(O)=O)csc3N=2)=O)=O)c1
InChIKey
CDQRIIUMNLMHRH-UHFFFAOYSA-N
NCBI gene ID
4322
UniProt ID
P45452
Synonyms
MMP13
Mode of action
Inhibitor
Negative control
T-26f
Affinity biochemical definition
IC50
Affinity biochemical assay type
Enzyme inhibition assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1016/j.bmc.2014.07.025
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/T-26c
Affinity biochemical relation
=
Selectivity platform
MMPs panel, literature
Selectivity platform number of targets
10
Selectivity remarks
>2600-fold selective over other MMPs: IC50(MMP1) >10 µM, IC50(MMP2) = 18 nM, IC50(MMP3) = 600 nM, IC50(MMP7) >10 µM, IC50(MMP8) = 780 nM, IC50(MMP9) >10 µM, IC50(MMP10) = 160 nM, IC50(MMP14) >10 mM, IC50(ADAM17) >10 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: LRRK2 (43%), CDK4 (43.5%), FLT3(D835V) (44.2%), NTRK1 (46.7%); Screended against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(HRH1) = 98 nM, Ki(TMEM97) = 4553 nM; Clean profile in MSD Pharma/Taiwan screen against 118 enzymes and receptors
Selectivity Source Knowledge
https://doi.org/10.1016/j.bmc.2014.07.025
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/T-26c
Selectivity Number of Off-targets
1