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Selectivity data for probe BAY-277 and control BAY-8805


Jump to control PDSP data

BAY-277


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
5-HT1A HTR1A 7.96
5-HT1B HTR1B 21.90
5-HT1D HTR1D 48.49
5-HT2A HTR2A 18.57
5-HT2C HTR2C 5.83
5-HT3 HTR3A 22.94
5-HT5A HTR5A 10.05
5-HT6 HTR6 -18.77
5-HT7A HTR7 36.83
Alpha1A ADRA1A 12.18
Alpha1B ADRA1B 6.88
Alpha1D ADRA1D 19.77
Alpha2A ADRA2A 33.09
Alpha2B ADRA2B 8.76
Alpha2C ADRA2C 47.89
Beta1 ADRB1 0.81
Beta2 ADRB2 2.82
Beta3 ADRB3 27.78
GABAA/BZP 36.61
D1 DRD1 5.21
D2 DRD2 20.90
D3 DRD3 25.60
D4 DRD4 14.29
D5 DRD5 1.60
DAT SLC6A3 50.74 3731.65 average (n=2) 5.47
DOR OPRD1 17.46
H1 HRH1 10.30
H3 HRH3 100.34 84.12 7.08
H4 HRH4 -8.84
KOR OPRK1 27.57
M1 CHRM1 71.34 1670.44 average (n=2) 5.78
M2 CHRM2 64.34
M3 CHRM3 55.03
M4 CHRM4 83.45
M5 CHRM5 70.99 567.76 average (n=2) 6.25
MOR OPRM1 16.30
NET SLC6A2 11.65
GABA/PBR 14.78
SERT SLC6A4 45.75
Sigma 1 TMEM97 28.94
Sigma 2 SIGMAR1 75.92 866.55 average (n=2) 6.08
5-HT2B HTR2B 19.90

BAY-8805


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
5-HT2B HTR2B -7.97
5-HT1A HTR1A 35.33
5-HT1B HTR1B 14.22
5-HT1D HTR1D 37.36
5-HT2A HTR2A 20.96
5-HT2C HTR2C 3.95
5-HT3 HTR3A 23.84
5-HT5A HTR5A 14.04
5-HT6 HTR6 -16.20
5-HT7A HTR7 32.52
Alpha1A ADRA1A -1.93
Alpha1B ADRA1B 2.86
Alpha1D ADRA1D 8.76
Alpha2A ADRA2A 29.30
Alpha2B ADRA2B 8.66
Alpha2C ADRA2C 27.53
Beta1 ADRB1 -12.08
Beta2 ADRB2 -7.69
Beta3 ADRB3 7.19
GABAA/BZP 44.64
D1 DRD1 8.56
D2 DRD2 21.72
D3 DRD3 68.34
D4 DRD4 19.13
D5 DRD5 10.82
DAT SLC6A3 51.37 6603.89 5.18
DOR OPRD1 19.46
H1 HRH1 14.15
H3 HRH3 91.51 75.67 7.12
H4 HRH4 -3.44
KOR OPRK1 29.31
M1 CHRM1 60.35 2189.38 average (n=2) 5.66
M2 CHRM2 57.17
M3 CHRM3 51.53
M4 CHRM4 76.06
M5 CHRM5 41.79
MOR OPRM1 13.80
NET SLC6A2 4.02
GABA/PBR 24.72
SERT SLC6A4 9.58
Sigma 1 TMEM97 28.37
Sigma 2 SIGMAR1 76.39 1142.33 average (n=2) 6.01

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BAY-277

The panel was screened at an ATP conc. of 10 µM.

Conclusion: Closest off-target is HASPIN (28.62% inhibition).

Target protein HGNC name Species % inhibition at 10 µM
Haspin(h) HASPIN Homo sapiens 28.6
Syk(h) SYK Homo sapiens 25.0
Met(h) MET Homo sapiens 22.7
JAK2(h) JAK2 Homo sapiens 21.8
MATK(h) MATK Homo sapiens 19.7
MSK1(h) RPS6KA5 Homo sapiens 19.4
GCN2(h) EIF2AK4 Homo sapiens 17.2
SGK2(h) SGK2 Homo sapiens 16.5
CaMKIgamma(h) CAMK1G Homo sapiens 15.7
Pim-2(h) PIM2 Homo sapiens 15.5
Lck(h) LCK Homo sapiens 14.3
Blk(h) BLK Homo sapiens 13.9
CLK1(h) CLK1 Homo sapiens 13.9
Hck(h) HCK Homo sapiens 12.8
TGFBR2(h) TGFBR2 Homo sapiens 12.7
Flt4(h) FLT4 Homo sapiens 12.5
TLK1(h) TLK1 Homo sapiens 12.3
GRK2(h) GRK2 Homo sapiens 11.9
ZIPK(h) DAPK3 Homo sapiens 11.7
ALK1(h) ACVRL1 Homo sapiens 11.5
CaMKIdelta(h) CAMK1D Homo sapiens 11.4
GCK GCK Homo sapiens 11.3
Yes(h) YES1 Homo sapiens 10.9
Pim-3(h) PIM3 Homo sapiens 10.3
Wee1B(h) WEE2 Homo sapiens 10.3
 

BAY-8805

Conclusion: Closest off-targets are BLK (26.11 % inhibition) and HASPIN (26.02 % inhibition).

Target protein HGNC name Species % inhibition at 10 µM
Blk(h) BLK Homo sapiens 26.1
Haspin(h) HASPIN Homo sapiens 26.0
PASK(h) PASK Homo sapiens 23.9
Syk(h) SYK Homo sapiens 20.4
PDHK2(h) PDK2 Homo sapiens 18.7
Hck(h) HCK Homo sapiens 18.0
Mer(h) MERTK Homo sapiens 17.9
CDKL2(h) CDKL2 Homo sapiens 17.6
NEK5(h) NEK5 Homo sapiens 17.5
Met(h) MET Homo sapiens 16.9
CLK1(h) CLK1 Homo sapiens 16.7
MAPKAP-K2(h) MAPKAPK2 Homo sapiens 16.6
ZIPK(h) DAPK3 Homo sapiens 15.9
GRK2(h) GRK2 Homo sapiens 15.1
NDR2(h) STK38L Homo sapiens 14.4
PKBbeta(h) AKT2 Homo sapiens 14.1
SGK3(h) SGK3 Homo sapiens 13.4
Lck(h) activated LCK Homo sapiens 13.3
PKCalpha(h) PRKCA Homo sapiens 12.8
TNIK(h) TNIK Homo sapiens 12.5
MSSK1(h) SRPK3 Homo sapiens 12.1
DCAMKL2(h) DCLK2 Homo sapiens 12.0
Lck(h) LCK Homo sapiens 11.9
PI3 Kinase (p110d/p85a)(h) PIK3CD,PIK3R1 Homo sapiens 11.6
STK39(h) STK39 Homo sapiens 11.5
NEK1(h) NEK1 Homo sapiens 11.4
MAPKAP-K3(h) MAPKAPK3 Homo sapiens 11.4
TGFBR2(h) TGFBR2 Homo sapiens 11.3
NDR1(h) STK38 Homo sapiens 11.2
PKCgamma(h) PRKCG Homo sapiens 10.9
CK2alpha2(h) CSNK2A2 Homo sapiens 10.9
TRB2(h) TRIB2 Homo sapiens 10.9
SGK(h) SGK1 Homo sapiens 10.8
TSSK4(h) TSSK4 Homo sapiens 10.8
CLK4(h) CLK4 Homo sapiens 10.8
MLK4(h) MAP3K21 Homo sapiens 10.7
SNRK(h) SNRK Homo sapiens 10.6
Pim-2(h) PIM2 Homo sapiens 10.6
DCAMKL3(h) DCLK3 Homo sapiens 10.5
PKR(h) EIF2AK2 Homo sapiens 10.3
p70S6K(h) Homo sapiens 10.2
ICK(h) CILK1 Homo sapiens 10.1
Fgr(h) FGR Homo sapiens 10.1
MST4(h) STK26 Homo sapiens 10.1

BAY-277

BAY-277 was used at 10 µM.

Conclusion: Closest off-targets are DRD3 (90 % inhibition), HRH3 (81 % inhibition), ADRA2C (79 % inhibition) and CHRM4 (70 % inhibition).

Target protein HGNC name Species % Inhibition at 10 µM
Aldose Reductase AKR1B1 Rattus sp. 32.0
ATPase, Na+/K+, Heart, Pig ATP1B1
ATP1B2
ATP1A4
ATP1A2
Sus scrofa -7.0
Carbonic Anhydrase II CA2 Homo sapiens -8.0
Cholinesterase, Acetyl, ACES ACHE Homo sapiens 45.0
Cyclooxygenase COX-1 PTGS1 Homo sapiens 16.0
Cyclooxygenase COX-2 PTGS2 Homo sapiens -6.0
HMG-CoA Reductase HMGCR Homo sapiens 12.0
Leukotriene LTC4 Synthase LTC4S Cavia porcellus 2.0
Lipoxygenase 15-LOX-2 ALOX15 Homo sapiens -1.0
Monoamine Oxidase MAO-A MAOA Homo sapiens 16.0
Monoamine Oxidase MAO-B MAOB Homo sapiens 34.0
Nitric Oxide Synthase, Neuronal (nNOS) NOS1 Rattus sp. 9.0
Nitric Oxide Synthetase, Inducible (iNOS) NOS2 Mus musculus 0.0
Peptidase, Angiotensin Converting Enzyme ACE Oryctolagus cuniculus -25.0
Phosphodiesterase PDE3A PDE3A Homo sapiens 6.0
Phosphodiesterase PDE4D2 PDE4D Homo sapiens 10.0
Phosphodiesterase PDE5A PDE5A Homo sapiens 25.0
Thromboxane Synthase TBXAS1 Homo sapiens 10.0
Adenosine A1 ADORA1 Homo sapiens 7.0
Adenosine A2A ADORA2A Homo sapiens 6.0
Adenosine A3 ADORA3 Homo sapiens 16.0
Adrenergic alpha1A ADRA1A Rattus sp. 32.0
Adrenergic alpha2A ADRA2A Homo sapiens 28.0
Adrenergic alpha2B ADRA2B Homo sapiens 19.0
Adrenergic alpha2C ADRA2C Homo sapiens 79.0
Adrenergic beta1 ADRB1 Homo sapiens 0.0
Adrenergic beta2 ADRB2 Homo sapiens -4.0
Adrenergic beta3 ADRB3 Homo sapiens 16.0
Androgen (Testosterone) AR Homo sapiens -6.0
Angiotensin AT1 AGTR1 Homo sapiens -4.0
Angiotensin AT2 AGTR2 Homo sapiens 13.0
Bradykinin B1 BDKRB1 Homo sapiens 1.0
Bradykinin B2 BDKRB2 Homo sapiens 10.0
Cannabinoid CB1 CNR1 Homo sapiens 1.0
Cannabinoid CB2 CNR2 Homo sapiens 14.0
Dopamine D1 DRD1 Homo sapiens 16.0
Dopamine D2L DRD2 Homo sapiens 22.0
Dopamine D2S DRD2 Homo sapiens -8.0
Dopamine D3 DRD3 Homo sapiens 90.0
Endothelin ETA EDNRA Homo sapiens -1.0
Endothelin ETB EDNRB Homo sapiens 2.0
Estrogen Eralpha ESR1 Homo sapiens 17.0
GABAA, Chloride Channel, TBOB Rattus sp. -6.0
GABAA, Flunitrazepam, Central Rattus sp. 10.0
GABAB, Non-Selective Rattus sp. 15.0
Glucocorticoid NR3C1 Homo sapiens 13.0
Glutamate, AMPA GRIA2 Rattus sp. 0.0
Glutamate, Kainate GRIK2 Rattus sp. -2.0
Glutamate, NMDA, Agonism Rattus sp. 21.0
Glutamate, NMDA, Glycine Rattus sp. -16.0
Growth Hormone Secretagogue (GHS, Ghrelin) GHSR Homo sapiens 2.0
Histamine H1 HRH1 Homo sapiens 23.0
Histamine H2 HRH2 Homo sapiens 32.0
Histamine H3 HRH3 Homo sapiens 81.0
Insulin INSR Rattus sp. -7.0
Motilin MLNR Homo sapiens 6.0
Muscarinic M1 CHRM1 Homo sapiens 53.0
Muscarinic M2 CHRM2 Homo sapiens 53.0
Muscarinic M3 CHRM3 Homo sapiens 26.0
Muscarinic M4 CHRM4 Homo sapiens 70.0
Nicotinic Acetylcholine alpha3beta4 CHRNA3
CHRNB4
Homo sapiens 24.0
Opiate delta1 (OP1, DOP) OPRD1 Homo sapiens 0.0
Opiate kappa(OP2, KOP) OPRK1 Homo sapiens 18.0
Opiate µ(OP3, MOP) OPRM1 Homo sapiens 19.0
Progesterone PR-B PGR Homo sapiens 24.0
Purinergic P2X Rattus sp. -19.0
Purinergic P2Y, non-selective Rattus sp. 4.0
Serotonin (5-Hydroxytryptamine) 5-HT1A HTR1A Homo sapiens 25.0
Serotonin (5-Hydroxytryptamine) 5-HT2A HTR2A Homo sapiens 35.0
Serotonin (5-Hydroxytryptamine) 5-HT2B HTR2B Homo sapiens 41.0
Serotonin (5-Hydroxytryptamine) 5-HT2C HTR2C Homo sapiens 14.0
Transporter, Adenosine Cavia porcellus 40.0
Transporter, Dopamine (DAT) SLC6A3 Homo sapiens 38.0
Transporter, GABA Rattus sp. 5.0
Transporter, Norepinephrine (NET) SLC6A2 Homo sapiens 28.0
Transporter, Serotonin (5-Hydroxytryptamine) (SERT) SLC6A4 Homo sapiens 32.0
Vasopressin V1A AVPR1A Homo sapiens -8.0
 

BAY-8805

Conclusion: Closest off-targets are HRH3 (85 % inhibition), DRD3 (76 % inhibition), ADRA2C (62 % inhibition) and CHRM4 (57 % inhibition).

Target protein HGNC name Species % Inhibition at 10 µM
Aldose Reductase AKR1B1 Rattus sp. 29.0
ATPase, Na+/K+, Heart, Pig ATP1B1, ATP1B2, ATP1A4, ATP1A2 Sus scrofa 1.0
Carbonic Anhydrase II CA2 Homo sapiens -8.0
Cholinesterase, Acetyl, ACES ACHE Homo sapiens 38.0
Cyclooxygenase COX-1 PTGS1 Homo sapiens 21.0
Cyclooxygenase COX-2 PTGS2 Homo sapiens -7.0
HMG-CoA Reductase HMGCR Homo sapiens -18.0
Leukotriene LTC4 Synthase LTC4S Cavia porcellus 15.0
Lipoxygenase 15-LOX-2 ALOX15 Homo sapiens 0.0
Monoamine Oxidase MAO-A MAOA Homo sapiens 18.0
Monoamine Oxidase MAO-B MAOB Homo sapiens 30.0
Nitric Oxide Synthase, Neuronal (nNOS) NOS1 Rattus sp. -4.0
Nitric Oxide Synthetase, Inducible (iNOS) NOS2 Mus musculus -3.0
Peptidase, Angiotensin Converting Enzyme ACE Oryctolagus cuniculus -30.0
Phosphodiesterase PDE3A PDE3A Homo sapiens 6.0
Phosphodiesterase PDE4D2 PDE4D Homo sapiens 18.0
Phosphodiesterase PDE5A PDE5A Homo sapiens 10.0
Thromboxane Synthase TBXAS1 Homo sapiens 23.0
Adenosine A1 ADORA1 Homo sapiens 3.0
Adenosine A2A ADORA2A Homo sapiens 6.0
Adenosine A3 ADORA3 Homo sapiens 21.0
Adrenergic alpha1A ADRA1A Rattus sp. 21.0
Adrenergic alpha2A ADRA2A Homo sapiens 32.0
Adrenergic alpha2B ADRA2B Homo sapiens 8.0
Adrenergic alpha2C ADRA2C Homo sapiens 62.0
Adrenergic beta1 ADRB1 Homo sapiens 10.0
Adrenergic beta2 ADRB2 Homo sapiens 13.0
Adrenergic beta3 ADRB3 Homo sapiens 13.0
Androgen (Testosterone) AR Homo sapiens -2.0
Angiotensin AT1 AGTR1 Homo sapiens 2.0
Angiotensin AT2 AGTR2 Homo sapiens 17.0
Bradykinin B1 BDKRB1 Homo sapiens 7.0
Bradykinin B2 BDKRB2 Homo sapiens 13.0
Cannabinoid CB1 CNR1 Homo sapiens -14.0
Cannabinoid CB2 CNR2 Homo sapiens 12.0
Dopamine D1 DRD1 Homo sapiens 20.0
Dopamine D2L DRD2 Homo sapiens 22.0
Dopamine D2S DRD2 Homo sapiens 13.0
Dopamine D3 DRD3 Homo sapiens 76.0
Endothelin ETA EDNRA Homo sapiens 3.0
Endothelin ETB EDNRB Homo sapiens -5.0
Estrogen Eralpha ESR1 Homo sapiens 22.0
GABAA, Chloride Channel, TBOB Rattus sp. -5.0
GABAA, Flunitrazepam, Central Rattus sp. 15.0
GABAB, Non-Selective Rattus sp. 22.0
Glucocorticoid NR3C1 Homo sapiens 20.0
Glutamate, AMPA GRIA2 Rattus sp. 3.0
Glutamate, Kainate GRIK2 Rattus sp. 1.0
Glutamate, NMDA, Agonism Rattus sp. 0.0
Glutamate, NMDA, Glycine Rattus sp. -6.0
Growth Hormone Secretagogue (GHS, Ghrelin) GHSR Homo sapiens 5.0
Histamine H1 HRH1 Homo sapiens 22.0
Histamine H2 HRH2 Homo sapiens 36.0
Histamine H3 HRH3 Homo sapiens 85.0
Insulin INSR Rattus sp. -5.0
Motilin MLNR Homo sapiens 10.0
Muscarinic M1 CHRM1 Homo sapiens 53.0
Muscarinic M2 CHRM2 Homo sapiens 47.0
Muscarinic M3 CHRM3 Homo sapiens 29.0
Muscarinic M4 CHRM4 Homo sapiens 57.0
Nicotinic Acetylcholine alpha3beta4 CHRNA3,CHRNB4 Homo sapiens 6.0
Opiate delta1 (OP1, DOP) OPRD1 Homo sapiens 7.0
Opiate kappa(OP2, KOP) OPRK1 Homo sapiens 35.0
Opiate µ(OP3, MOP) OPRM1 Homo sapiens 16.0
Progesterone PR-B PGR Homo sapiens 19.0
Purinergic P2X Rattus sp. -11.0
Purinergic P2Y, non-selective Rattus sp. 12.0
Serotonin (5-Hydroxytryptamine) 5-HT1A HTR1A Homo sapiens 6.0
Serotonin (5-Hydroxytryptamine) 5-HT2A HTR2A Homo sapiens 39.0
Serotonin (5-Hydroxytryptamine) 5-HT2B HTR2B Homo sapiens 10.0
Serotonin (5-Hydroxytryptamine) 5-HT2C HTR2C Homo sapiens 2.0
Transporter, Adenosine Cavia porcellus 44.0
Transporter, Dopamine (DAT) SLC6A3 Homo sapiens 39.0
Transporter, GABA Rattus sp. 8.0
Transporter, Norepinephrine (NET) SLC6A2 Homo sapiens 15.0
Transporter, Serotonin (5-Hydroxytryptamine) (SERT) SLC6A4 Homo sapiens 22.0
Vasopressin V1A AVPR1A Homo sapiens -3.0