Compound name
BI-4394
Protein family
MMP
Target name
MMP13
Affinity biochemical (nM)
1
CG-Set
Protease set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000730a
SMILES
CCOC(c1cc2cc(ccc2[nH]1)c1cc(C(NCc2ccc(cc2)C(O)=O)=O)nn1C)=O
InChIKey
MMJPVSDTLGFIQW-UHFFFAOYSA-N
NCBI gene ID
4322
UniProt ID
P45452
Synonyms
MMP13
Mode of action
Inhibitor
Negative control
BI-4395
Affinity biochemical definition
IC50
Affinity biochemical assay type
FRET assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/jm201129m
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BI-4394
Affinity biochemical relation
=
Selectivity platform
MMPs panel, literature
Selectivity platform number of targets
10
Selectivity remarks
Highly selective (> 1000-fold) against other matrix metalloproteinases (FRET assays): IC50(MMP1) >22 µM, IC50(MMP2) = 18 µM, IC50(MMP3) >22 µM, IC50(MMP7) >22 µM, IC50(MMP8) >22 µM, IC50(MMP9) = 8.9 µM, IC50(MMP10) = 16 µM, IC50(MMP12) >22 µM, IC50(MMP14) = 8.3 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 100 nM, closest targets as % of contr.: CDK19 (0%), CDKL3 (0%), CDK3 (43%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: DRD5 (60% inhibition, Ki >10 µM); Screened against 56 targets (Invitrogen Panel) at 10 µM, closest targets: IC50(AURKA) = 1.3 µM, IC50(MAPKAPK2) = 1.1 µM, IC50(PRKAA1) = 1.9 µM, IC50(PRKACA) = 1.6 µM;
Selectivity Source Knowledge
https://doi.org/10.1021/jm201129m
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BI-4394
Selectivity Number of Off-targets
0