Compound name
BAY-7081
Protein family
Hydrolase
Target name
PDE9A
Affinity biochemical (nM)
15
Affinity on-target cellular (nM)
995
CG-Set
Other targets set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0002354aCl
SMILES
CCC[C@H]1CNCC2=C1NC(C(C#N)=C2N3CCC4(CC4)CC3)=O.Cl
InChIKey
NPPMVTBTTJNVKP-ZDUSSCGKSA-N
NCBI gene ID
5152
UniProt ID
O76083
Synonyms
HSPDE9A2
Mode of action
inhibitor
Negative control
BAY-7081
Affinity biochemical definition
IC50
Affinity biochemical assay type
Scintillation Proximity Assay
Affinity Biochemical Source Knowledge
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9791655/
Affinity biochemical relation
0
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
Cellular PDE9A assay (using recombinant CHO cell line stably expressing murine PDE9A)
Affinity on-target cellular source knowledge
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9791655/
Affinity on-target cellular relation
0
Selectivity platform
Eurofins Panlabs screen
Selectivity platform number of targets
75
Selectivity remarks
Screened at 10 µM (panel of GPCRs, ion channels, transporters), closest targets as % of inhibition: PDE1A (7.7%), PDE2A (3.5%), PDE3A (-1.3%), PDE3B (0.8%), PDE4A (6.8%), PDE4B (10.6%), PDE4C (28.6%), PDE4D (19.1%), PDE5A (12.2%), PDE6 (16.7%), PDE7A (-1.6%), PDE7B (-2.1%), PDE8A (2.9%), PDE10A (1.6%), PDE11A (1.3%); In-vitro potency (Scintillation Proximity Assay): IC50(PDE1) = 0.753 nM, IC50(PDE2A) >10000 nM, IC50(PDE3B) >10000 nM, IC50(PDE4B) = 3960 nM, IC50(PDE5A) = 2980 nM, IC50(PDE6) = 1560 nM, IC50(PDE7B) >10000 nM, IC50(PDE8A) = 1490 nM, IC50(PDE10A) >10000 nM, IC50(PDE11A) = 6600 nM
Selectivity Source Knowledge
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9791655/
Selectivity Number of Off-targets
0