Compound name
BAY-7598
Protein family
MMP
Target name
MMP12
Affinity biochemical (nM)
0.085
CG-Set
Protease set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000728a
SMILES
O=C(C1=C(N=N2)C=CC=C1)N2C[C@@H]([C@@H]3C(O)=O)CC[C@@H]3C(C(C=C4)=CC=C4OCCC5CCOCC5)=O
InChIKey
ZGBAPSHWPBXEKN-OPHFCASCSA-N
NCBI gene ID
4321
UniProt ID
P39900
Synonyms
MMP12, HME
Mode of action
Inhibitor
Negative control
BAY-694
Affinity biochemical definition
IC50
Affinity biochemical assay type
Biochemical assay (inhibition of human macrophage elastase (HME/hMMP-12), addition of 2% BSA)
Affinity Biochemical Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-7598
Affinity biochemical relation
=
Selectivity platform
Lead profiling screen (Eurofins)
Selectivity platform number of targets
68
Selectivity remarks
Screened at 10 µM against 68 enzymes, transporters, GPCRs, ion chanels, closest targets: IC50(MMP2) = 44 nM, IC50(MMP10) = 13 nM, IC50(MMP8) = 15 nM, IC50(MMP13) = 67 nM, IC50(MMP14) = 250 nM, IC50(MMP3) = 360 nM, IC50(MMP9) = 460 nM, IC50(MMP7) = 600 nM, IC50(MMP16) = 940 nM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: EGFR(S752-I759del) (40%), TYK2 (41%), PNCK (46%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % inhibition: DRD2 (30%)
Selectivity Source Knowledge
https://patents.google.com/patent/WO2015150350A1/en
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-7598
Selectivity Number of Off-targets
4