Compound name
JNJ-9350
Protein family
Oxidoreductase
Target name
SMOX
Affinity biochemical (nM)
10
Affinity on-target cellular (nM)
1200
CG-Set
Other targets set
Recommended Concentration
10 µM
Compound EUbOPEN ID
EUB0002264a
SMILES
O=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIKey
RIGHCDSORZCRDE-UHFFFAOYSA-N
NCBI gene ID
54498
UniProt ID
Q9NWM0
Synonyms
C20orf16, PAO, PAO-1, PAO1, PAOH, PAOH1, SMO
Mode of action
Inhibitor
Negative control
JNJ-4545
Affinity biochemical definition
IC50
Affinity biochemical assay type
HyperBlue assay (spermine oxidase enzymatic assay utilizing spermine substrate in the presence of atmospheric oxygen)
Affinity Biochemical Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/JNJ-9350
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Cellular Thermal Shift Assay (CETSA) assay (alphaLISA system using A549 cells expressing full-length, endogenous human SMOX protein)
Affinity on-target cellular source knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/JNJ-9350
Affinity on-target cellular relation
=
Selectivity platform
GPCR panel (PDSP screen)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest targets as % of inhibition, HTR1D (100.58%), HTR1B (103.72%), GABA/PBR (114.1%), HTR2B (57.92%), OPRK1 (73.33%), TMEM97 (76.7%), ADRA2B (42.24%), ADRA2A (64.0%), full screening data available on DCP website;
In-vitro potency of closest targets in the PDSP screen (enzymatic assay): Ki(HTR1D) = 219.42 nM, Ki(HTR1B) = 477.93 nM, Ki(GABA/PBR) = 497.62 nM, Ki(HTR2B) = 897.02 nM, Ki(OPRK1) = 1168.96 nM, Ki(TMEM97) = 1924.86 nM, Ki(ADRA2B) = 3579.32 nM, Ki(ADRA2A) = 3826.48 nM, https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/JNJ-9350; Screened at 10 µM against a panel of 13 receptors, (CEREP assay) targets as % of inhibition: 5HT1B (62.09%), 5-HT2A (69.87%), 5-HT2B (68.52%), A1 (98-93%), A2A (74.96%), A3 (75.06%), CCK1 (70.27%), KOP (74.06%), M4 (59.82%), ML1A (58.82%), NK2 (56.77%), PDE4D2 (63.05%), Sigma (62.77%), https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/JNJ-9350;
In-vitro potency of closest targets in the PDSP screen (enzymatic assay): Ki(HTR1D) = 219.42 nM, Ki(HTR1B) = 477.93 nM, Ki(GABA/PBR) = 497.62 nM, Ki(HTR2B) = 897.02 nM, Ki(OPRK1) = 1168.96 nM, Ki(TMEM97) = 1924.86 nM, Ki(ADRA2B) = 3579.32 nM, Ki(ADRA2A) = 3826.48 nM, https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/JNJ-9350; Screened at 10 µM against a panel of 13 receptors, (CEREP assay) targets as % of inhibition: 5HT1B (62.09%), 5-HT2A (69.87%), 5-HT2B (68.52%), A1 (98-93%), A2A (74.96%), A3 (75.06%), CCK1 (70.27%), KOP (74.06%), M4 (59.82%), ML1A (58.82%), NK2 (56.77%), PDE4D2 (63.05%), Sigma (62.77%), https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/JNJ-9350;
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/JNJ-9350
Selectivity Number of Off-targets
3