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Selectivity data for probe BAY-7081 and control BAY-7424


Jump to control PDSP data

BAY-7081


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
5-HT1A HTR1A 5.13
5-HT1B HTR1B -6.99
5-HT1D HTR1D 24.96
5-HT2A HTR2A -6.26
5-HT2C HTR2C 8.81
5-HT3 HTR3A 7.40
5-HT5A HTR5A 5.53
5-HT6 HTR6 -17.21
5-HT7A HTR7 16.30
Alpha1A ADRA1A 6.38
Alpha1B ADRA1B 4.43
Alpha1D ADRA1D 0.14
Alpha2A ADRA2A 5.64
Alpha2B ADRA2B 4.16
Alpha2C ADRA2C 2.50
Beta1 ADRB1 -8.08
Beta2 ADRB2 -6.31
Beta3 ADRB3 3.76
GABAA/BZP 3.16
D1 DRD1 -2.37
D2 DRD2 3.01
D3 DRD3 12.26
D4 DRD4 15.94
D5 DRD5 2.11
DAT SLC6A3 3.42
DOR OPRD1 -9.99
H1 HRH1 -2.94
H3 HRH3 -0.66
H4 HRH4 14.24
KOR OPRK1 34.26
M1 CHRM1 0.28
M2 CHRM2 -1.19
M3 CHRM3 -1.00
M4 CHRM4 -3.14
M5 CHRM5 -6.97
MOR OPRM1 26.20
NET SLC6A2 -3.72
GABA/PBR 10.41
SERT SLC6A4 6.23
Sigma 1 TMEM97 18.12
Sigma 2 SIGMAR1 -5.00
5-HT2B HTR2B 44.92

BAY-7424


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
5-HT2B HTR2B 32.99
5-HT1A HTR1A 8.63
5-HT1B HTR1B 2.21
5-HT1D HTR1D 35.05
5-HT2A HTR2A -4.86
5-HT2C HTR2C 9.88
5-HT3 HTR3A 5.44
5-HT5A HTR5A 3.90
5-HT6 HTR6 -11.36
5-HT7A HTR7 -2.30
Alpha1A ADRA1A -15.88
Alpha1B ADRA1B -10.11
Alpha1D ADRA1D -2.05
Alpha2A ADRA2A 9.55
Alpha2B ADRA2B 16.91
Alpha2C ADRA2C -0.07
Beta1 ADRB1 5.97
Beta2 ADRB2 -6.78
Beta3 ADRB3 -3.17
GABAA/BZP -5.59
D1 DRD1 11.02
D2 DRD2 -4.21
D3 DRD3 -9.68
D4 DRD4 18.79
D5 DRD5 4.19
DAT SLC6A3 7.47
DOR OPRD1 3.91
H1 HRH1 4.72
H3 HRH3 -1.01
H4 HRH4 -8.10
KOR OPRK1 29.33
M1 CHRM1 -0.37
M2 CHRM2 2.48
M3 CHRM3 3.32
M4 CHRM4 -5.05
M5 CHRM5 -11.58
MOR OPRM1 57.89 4713.28 average (n=2) 5.33
NET SLC6A2 -7.72
GABA/PBR 0.40
SERT SLC6A4 -1.15
Sigma 1 TMEM97 13.21
Sigma 2 SIGMAR1 -4.19

Jump to PDSP top

BAY-7081

Bay-7081 was used at 10 µM. Data are from PMID: 36475653 (Table S1).

Conclusion: Clean panel.

Target protein HGNC name Species % Inhibition at 10 µM
Aldose Reductase AKR1B1 Rattus sp. 4.0
ATPase, Na+/K+, Heart, Pig ATP1B1
ATP1B2
ATP1A4
ATP1A2
Sus scrofa -1.0
Carbonic Anhydrase II CA2 Homo sapiens -7.5
Cholinesterase, Acetyl, ACES ACHE Homo sapiens 5.0
Cyclooxygenase COX-1 PTGS1 Homo sapiens 1.0
Cyclooxygenase COX-2 PTGS2 Homo sapiens -5.0
HMG-CoA Reductase HMGCR Homo sapiens 8.0
Leukotriene LTC4 Synthase LTC4S Cavia porcellus 16.0
Lipoxygenase 15-LO ALOX15 Homo sapiens -6.0
Monoamine Oxidase MAO-A MAOA Homo sapiens 2.0
Monoamine Oxidase MAO-B MAOB Homo sapiens 2.0
Nitric Oxide Synthase, Neuronal (nNOS) NOS1 Rattus sp. -2.0
Nitric Oxide Synthetase, Inducible (iNOS) NOS2 Mus musculus 6.0
Peptidase, Angiotensin Converting Enzyme ACE Oryctolagus cuniculus 4.0
Phosphodiesterase PDE3 PDE3A
PDE3B
Homo sapiens -1.5
Phosphodiesterase PDE4 PDE4A
PDE4B
PDE4C
PDE4D
Homo sapiens 58.0
Phosphodiesterase PDE5 PDE5A Homo sapiens 59.0
Thromboxane Synthase TBXAS1 Homo sapiens 0.0
Adenosine A1 ADORA1 Homo sapiens 16.0
Adenosine A2A ADORA2A Homo sapiens 2.0
Adenosine A3 ADORA3 Homo sapiens 12.5
Adrenergic alpha1A ADRA1A Rattus sp. 2.0
Adrenergic alpha2A ADRA2A Homo sapiens 28.0
Adrenergic alpha2B ADRA2B Homo sapiens 7.0
Adrenergic alpha2C ADRA2C Homo sapiens -1.0
Adrenergic beta1 ADRB1 Homo sapiens 5.2
Adrenergic beta2 ADRB2 Homo sapiens -6.0
Adrenergic beta3 ADRB3 Homo sapiens 0.0
Androgen (Testosterone) AR Homo sapiens -6.0
Angiotensin AT1 AGTR1 Homo sapiens 5.0
Angiotensin AT2 AGTR2 Homo sapiens 3.0
Bradykinin B1 BDKRB1 Homo sapiens 1.0
Bradykinin B2 BDKRB2 Homo sapiens -4.0
Cannabinoid CB1 CNR1 Homo sapiens 31.3
Cannabinoid CB2 CNR2 Homo sapiens -1.0
Dopamine D1 DRD1 Homo sapiens 1.0
Dopamine D2L DRD2 Homo sapiens 12.0
Dopamine D2S DRD2 Homo sapiens -2.0
Dopamine D3 DRD3 Homo sapiens 2.0
Dopamine D4.2 DRD4 Homo sapiens 2.0
Endothelin ETA EDNRA Homo sapiens 3.0
Endothelin ETB EDNRB Homo sapiens 8.0
Estrogen Eralpha ESR1 Homo sapiens 8.0
GABAA, Chloride Channel, TBOB Rattus sp. 4.0
GABAA, Flunitrazepam, Central Rattus sp. 16.5
GABAB, Non-Selective Rattus sp. -1.0
GABAA, Muscimol, Central Rattus sp. 25.0
Glucocorticoid NR3C1 Homo sapiens 4.7
Glutamate, AMPA GRIA2 Rattus sp. -2.0
Glutamate, Kainate GRIK2 Rattus sp. -0.5
Glutamate, NMDA, Agonism Rattus sp. 6.0
Glutamate, NMDA, Glycine Rattus sp. -2.0
Growth Hormone Secretagogue (GHS, Ghrelin) GHSR Homo sapiens 9.0
Histamine H1 HRH1 Homo sapiens 5.0
Histamine H2 HRH2 Homo sapiens 3.0
Histamine H3 HRH3 Homo sapiens 5.0
Insulin INSR Rattus sp. 10.0
Motilin MLNR Homo sapiens 0.0
Muscarinic M1 CHRM1 Homo sapiens -4.0
Muscarinic M2 CHRM2 Homo sapiens 6.7
Muscarinic M3 CHRM3 Homo sapiens -9.0
Muscarinic M4 CHRM4 Homo sapiens -4.0
Nicotinic Acetylcholine CHRNA1 Homo sapiens 5.0
Opiate delta1 (OP1, DOP) OPRD1 Homo sapiens 5.0
Opiate kappa(OP2, KOP) OPRK1 Homo sapiens 24.3
Opiate µ(OP3, MOP) OPRM1 Homo sapiens 18.4
Progesterone PR-B PGR Homo sapiens 2.0
Purinergic P2X Rattus sp. 0.0
Purinergic P2Y Rattus sp. 5.0
Serotonin (5-Hydroxytryptamine) 5-HT1A HTR1A Homo sapiens 10.0
Serotonin (5-Hydroxytryptamine) 5-HT2A HTR2A Homo sapiens 2.0
Serotonin (5-Hydroxytryptamine) 5-HT2B HTR2B Homo sapiens 13.0
Serotonin (5-Hydroxytryptamine) 5-HT2C HTR2C Homo sapiens 5.0
Serotonin (5-Hydroxytryptamine) 5-HT3 HTR3A Homo sapiens 3.8
Serotonin (5-Hydroxytryptamine) 5-HT4 HTR4 Cavia porcellus 22.0
Transporter, Adenosine Cavia porcellus 4.0
Transporter, Dopamine (DAT) SLC6A3 Homo sapiens 19.0
Transporter, GABA Rattus sp. 11.0
Transporter, Norepinephrine (NET) SLC6A2 Homo sapiens 6.0
Transporter, Serotonin (5-Hydroxytryptamine) (SERT) SLC6A4 Homo sapiens 3.5
Vasopressin V1A AVPR1A Homo sapiens 0.0
Calcium Channel L-Type, Benzothiazepine CACNA1C Rattus sp. 18.5
Calcium Channel L-Type, Dihydropyridine CACNA1C Rattus sp. 29.0
Interleukin IL-1 IL1R1 Mus musculus 14.0
Imidazoline I2, Central Rattus sp. 32.5
Neuropeptide Y Y1 NPY1R Homo sapiens 15.0
Platelet Activating Factor (PAF) PTAFR Homo sapiens -15.0
Potassium Channel hERG KCNH2 Homo sapiens 18.5
Uptake, Dopamine - Antagonist Homo sapiens 22.0
Prostanoid EP1 PTGER1 Homo sapiens 8.0
Prostanoid EP3 PTGER3 Homo sapiens 0.0
Prostanoid FP PTGFR Homo sapiens 13.0
Sigma1 SIGMAR1 Homo sapiens -4.0
Sodium Channel, Site 2 Rattus sp. -4.0
Tachykinin NK1 TACR1 Homo sapiens -7.0
Protein Tyrosine Kinase, EGF Receptor EGFR Homo sapiens 9.0
 

BAY-7081

For the DSF screen 10 µM compound and 2 µM recombinant protein kinase domain was used. Temperature-dependent protein unfolding profiles were measured using the QuantStudio™ 5 realtime PCR machine (Thermo Fisher). Excitation and emission filters were set to 465 nm and 590 nm, respectively. The temperature was raised with a step rate of 3°C per minute. Data points were analysed with the internal software (Thermal Shift SoftwareTM Version 1.4, Thermo Fisher) using the Boltzmann equation to determine the inflection point of the transition curve.

Conclusion: Clean panel

Target protein HGNC name Species delta Tm delta Tm Staurosporine positive control
AAK1 AAK1 Homo sapiens -0.5 12.42
ABL1 ABL1 Homo sapiens 0.1 8.44
AKT3 AKT3 Homo sapiens -0.4 7.15
AURKB AURKB Homo sapiens -0.2 14.10
BMP2K BMP2K Homo sapiens -0.1 18.68
BMPR2 BMPR2 Homo sapiens 0.1 3.02
BMX BMX Homo sapiens -0.2 7.31
BRAF BRAF Homo sapiens -0.1 1.08
BRD4 BRD4 Homo sapiens 0.2 2.04
BRPF1 BRPF1 Homo sapiens -0.8 -0.11
CAMK1D CAMK1D Homo sapiens -0.8 10.92
CAMK1G CAMK1G Homo sapiens -0.3 11.15
CAMK2B CAMK2B Homo sapiens -0.5 13.70
CAMK2D CAMK2D Homo sapiens 0.1 18.18
CAMK4 CAMK4 Homo sapiens -0.6 8.45
CASK CASK Homo sapiens -0.2 4.27
CDC42BPA CDC42 Homo sapiens 0.1 3.20
CDK2 CDK2 Homo sapiens -0.6 14.30
CDKL1 CDKL1 Homo sapiens 0.0 7.07
CHEK2 CHEK2 Homo sapiens 3.1 17.78
CLK1 CLK1 Homo sapiens -0.5 11.36
CLK3 CLK3 Homo sapiens -0.4 5.30
CSNK1D CSNK1D Homo sapiens -0.1 2.05
CSNK1E CSNK1E Homo sapiens -0.1 3.12
CSNK2A1 CSNK2A1 Homo sapiens -0.2 4.47
CSNK2A2 CSNK2A2 Homo sapiens -0.2 4.21
DAPK1 DAPK1 Homo sapiens 0.2 9.84
DAPK3 DAPK3 Homo sapiens 0.2 16.61
DCAMKL1 DCLK1 Homo sapiens -1.2 12.74
DMPK1 DMPK Homo sapiens 0.0 9.39
DYRK1A DYRK1A Homo sapiens -0.3 9.05
DYRK2 DYRK2 Homo sapiens -0.2 5.55
EPHA2 EPHA2 Homo sapiens -0.6 7.41
EPHA4 EPHA4 Homo sapiens -0.3 6.68
EPHA5 EPHA5 Homo sapiens -0.5 8.04
EPHA7 EPHA7 Homo sapiens -0.6 12.09
EPHB1 EPHB1 Homo sapiens 0.0 5.62
EPHB3 EPHB3 Homo sapiens -2.5 7.02
FECHHS FECH Homo sapiens -1.1 2.89
FES FES Homo sapiens -0.1 9.22
FGFR1 FGFR1 Homo sapiens -0.1 5.57
FLT1 FLT1 Homo sapiens -0.1 13.08
GAK GAK Homo sapiens -1.1 9.89
GPRK5 GRK5 Homo sapiens 0.1 7.02
GSG2 HASPIN Homo sapiens -0.1 8.53
HIPK2 HIPK2 Homo sapiens -0.3 4.23
MAP2K1 MAP2K1 Homo sapiens -0.3 6.30
MAP2K4 MAP2K4 Homo sapiens -0.3 11.75
MAP2K6 MAP2K6 Homo sapiens -0.1 12.80
MAP2K7 MAP2K7 Homo sapiens -1.2 7.05
MAP3K5 MAP3K5 Homo sapiens 0.0 17.66
MAPK10 MAPK10 Homo sapiens -0.5 6.75
MAPK13 MAPK13 Homo sapiens 0.1 8.03
MAPK14 MAPK14 Homo sapiens -0.5 0.18
MAPK15 MAPK15 Homo sapiens -0.3 16.37
MAPK1 MAPK1 Homo sapiens -0.2 3.56
MAPK8 MAPK8 Homo sapiens -0.3 7.45
MAPK9 MAPK9 Homo sapiens -0.6 3.03
MAPKAPK2 MAPKAPK2 Homo sapiens -0.3 3.96
MARK3 MARK3 Homo sapiens -0.3 17.51
MARK4 MARK4 Homo sapiens -0.2 15.90
MELK MELK Homo sapiens -0.2 14.15
MERTK MERTK Homo sapiens -1.0 6.40
MSSK1 SRPK3 Homo sapiens -0.1 4.52
MST3 STK24 Homo sapiens -2.1 7.85
MST4 STK26 Homo sapiens -1.6 6.50
NEK1 NEK1 Homo sapiens 0.4 2.43
NEK2 NEK2 Homo sapiens -1.2 4.25
NEK7 NEK7 Homo sapiens -0.1 -0.49
NQO2 NQO2 Homo sapiens -0.6 -1.11
OSR1 OXSR1 Homo sapiens -0.1 8.41
PAK1 PAK1 Homo sapiens -0.7 7.21
PAK4 PAK4 Homo sapiens 0.1 15.08
PCTK1 CDK16 Homo sapiens -0.4 11.16
PHKG2 PHKG2 Homo sapiens -0.8 21.48
PIM1 PIM1 Homo sapiens -0.1 12.17
PIM3 PIM3 Homo sapiens -0.2 16.71
PKMYT1 PKMYT1 Homo sapiens -0.5 0.05
PLK4 PLK4 Homo sapiens -0.3 19.68
RPS6KA1 RPS6KA1 Homo sapiens -0.1 4.78
RPS6KA5 RPS6KA5 Homo sapiens -0.3 13.79
SLK SLK Homo sapiens -0.6 15.40
SRC SRC Homo sapiens -0.1 7.39
SRPK1 SRPK1 Homo sapiens -0.3 7.17
STK10 STK10 Homo sapiens -2.2 22.21
STK17A STK17A Homo sapiens -1.0 11.80
STK17B STK17B Homo sapiens -0.9 10.63
STK39 STK39 Homo sapiens -0.3 9.01
STK3 STK3 Homo sapiens -0.7 16.47
STK4 STK4 Homo sapiens -0.6 16.20
STK6 AURKA Homo sapiens 0.0 20.49
TAF1 TAF1 Homo sapiens 1.6 0.52
TIF1 TRIM24 Homo sapiens -0.2 0.04
TLK1 TLK1 Homo sapiens -1.3 9.74
TTK TTK Homo sapiens 0.2 7.90
ULK1 ULK1 Homo sapiens 0.0 14.02
ULK3 ULK3 Homo sapiens -0.1 19.15
VRK1 VRK1 Homo sapiens -0.4 2.35
WNK1 WNK1 Homo sapiens -0.5 2.20
 

BAY-7424

Conclusion: Clean panel

Target protein HGNC name Species delta Tm delta Tm Staurosporine positive control
AAK1 AAK1 Homo sapiens -0.5 12.42
ABL1 ABL1 Homo sapiens 0.1 8.44
AKT3 AKT3 Homo sapiens -0.4 7.15
AURKB AURKB Homo sapiens -0.2 14.10
BMP2K BMP2K Homo sapiens -0.2 18.68
BMPR2 BMPR2 Homo sapiens 0.1 3.02
BMX BMX Homo sapiens -0.3 7.31
BRAF BRAF Homo sapiens -0.1 1.08
BRD4 BRD4 Homo sapiens 0.9 2.04
BRPF1 BRPF1 Homo sapiens -0.4 -0.11
CAMK1D CAMK1D Homo sapiens -0.4 10.92
CAMK1G CAMK1G Homo sapiens -0.4 11.15
CAMK2B CAMK2B Homo sapiens -0.6 13.70
CAMK2D CAMK2D Homo sapiens -0.2 18.18
CAMK4 CAMK4 Homo sapiens -1.1 8.45
CASK CASK Homo sapiens -0.1 4.27
CDC42BPA CDC42 Homo sapiens 0.2 3.20
CDK2 CDK2 Homo sapiens -0.7 14.30
CDKL1 CDKL1 Homo sapiens -0.2 7.07
CHEK2 CHEK2 Homo sapiens -0.4 17.78
CLK1 CLK1 Homo sapiens -0.4 11.36
CLK3 CLK3 Homo sapiens -0.4 5.30
CSNK1D CSNK1D Homo sapiens 0.1 2.05
CSNK1E CSNK1E Homo sapiens 0.0 3.12
CSNK2A1 CSNK2A1 Homo sapiens -0.2 4.47
CSNK2A2 CSNK2A2 Homo sapiens -0.2 4.21
DAPK1 DAPK1 Homo sapiens -0.2 9.84
DAPK3 DAPK3 Homo sapiens 0.3 16.61
DCAMKL1 DCLK1 Homo sapiens -1.2 12.74
DMPK1 DMPK Homo sapiens -0.1 9.39
DYRK1A DYRK1A Homo sapiens 0.7 9.05
DYRK2 DYRK2 Homo sapiens -0.2 5.55
EPHA2 EPHA2 Homo sapiens -0.6 7.41
EPHA4 EPHA4 Homo sapiens -0.3 6.68
EPHA5 EPHA5 Homo sapiens -0.6 8.04
EPHA7 EPHA7 Homo sapiens -0.6 12.09
EPHB1 EPHB1 Homo sapiens 0.0 5.62
EPHB3 EPHB3 Homo sapiens -2.2 7.02
FECHHS FECH Homo sapiens -1.3 2.89
FES FES Homo sapiens -0.4 9.22
FGFR1 FGFR1 Homo sapiens -0.2 5.57
FLT1 FLT1 Homo sapiens -0.2 13.08
GAK GAK Homo sapiens -1.0 9.89
GPRK5 GRK5 Homo sapiens 0.0 7.02
GSG2 HASPIN Homo sapiens -0.6 8.53
HIPK2 HIPK2 Homo sapiens -0.3 4.23
MAP2K1 MAP2K1 Homo sapiens -0.2 6.30
MAP2K4 MAP2K4 Homo sapiens -0.3 11.75
MAP2K6 MAP2K6 Homo sapiens -0.1 12.80
MAP2K7 MAP2K7 Homo sapiens -1.2 7.05
MAP3K5 MAP3K5 Homo sapiens -0.2 17.66
MAPK10 MAPK10 Homo sapiens -0.4 6.75
MAPK13 MAPK13 Homo sapiens 0.1 8.03
MAPK14 MAPK14 Homo sapiens -0.5 0.18
MAPK15 MAPK15 Homo sapiens 0.0 16.37
MAPK1 MAPK1 Homo sapiens -0.2 3.56
MAPK8 MAPK8 Homo sapiens -0.3 7.45
MAPK9 MAPK9 Homo sapiens -0.1 3.03
MAPKAPK2 MAPKAPK2 Homo sapiens -0.3 3.96
MARK3 MARK3 Homo sapiens -0.2 17.51
MARK4 MARK4 Homo sapiens 0.2 15.90
MELK MELK Homo sapiens 0.2 14.15
MERTK MERTK Homo sapiens -0.9 6.40
MSSK1 SRPK3 Homo sapiens -0.2 4.52
MST3 STK24 Homo sapiens -2.1 7.85
MST4 STK26 Homo sapiens -1.8 6.50
NEK1 NEK1 Homo sapiens 0.3 2.43
NEK2 NEK2 Homo sapiens -1.5 4.25
NEK7 NEK7 Homo sapiens -1.0 -0.49
NQO2 NQO2 Homo sapiens -0.6 -1.11
OSR1 OXSR1 Homo sapiens 0.2 8.41
PAK1 PAK1 Homo sapiens -0.7 7.21
PAK4 PAK4 Homo sapiens 0.1 15.08
PCTK1 CDK16 Homo sapiens -0.4 11.16
PHKG2 PHKG2 Homo sapiens -0.8 21.48
PIM1 PIM1 Homo sapiens -0.1 12.17
PIM3 PIM3 Homo sapiens -0.3 16.71
PKMYT1 PKMYT1 Homo sapiens -0.4 0.05
PLK4 PLK4 Homo sapiens -0.3 19.68
RPS6KA1 RPS6KA1 Homo sapiens 0.0 4.78
RPS6KA5 RPS6KA5 Homo sapiens -0.5 13.79
SLK SLK Homo sapiens -1.1 15.40
SRC SRC Homo sapiens -0.1 7.39
SRPK1 SRPK1 Homo sapiens -0.2 7.17
STK10 STK10 Homo sapiens -2.3 22.21
STK17A STK17A Homo sapiens -1.0 11.80
STK17B STK17B Homo sapiens -0.8 10.63
STK39 STK39 Homo sapiens -0.5 9.01
STK3 STK3 Homo sapiens -0.8 16.47
STK4 STK4 Homo sapiens -0.5 16.20
STK6 AURKA Homo sapiens 0.0 20.49
TAF1 TAF1 Homo sapiens 1.0 0.52
TIF1 TRIM24 Homo sapiens -0.2 0.04
TLK1 TLK1 Homo sapiens -1.2 9.74
TTK TTK Homo sapiens 0.3 7.90
ULK1 ULK1 Homo sapiens 0.2 14.02
ULK3 ULK3 Homo sapiens 0.0 19.15
VRK1 VRK1 Homo sapiens -0.3 2.35
WNK1 WNK1 Homo sapiens -0.3 2.20