Selectivity data for probe BAY-179 and control BAY-070


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BAY-179


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
5-HT1B HTR1B 16.02
Alpha1A ADRA1A 15.53
Alpha1B ADRA1B 35.69
Alpha1D ADRA1D 9.84
Alpha2A ADRA2A 32.13
Alpha2B ADRA2B 28.70
Alpha2C ADRA2C 53.38 3499.92 average (n=2) 5.46
GABAA/BZP 48.34
D2 DRD2 5.50
DOR OPRD1 21.98
M1 CHRM1 1.70
M2 CHRM2 54.22 5467.68 average (n=2) 5.36
M3 CHRM3 -0.20
M4 CHRM4 -4.61
M5 CHRM5 -7.72
Sigma 1 SIGMAR1 55.41 1179.84 average (n=2) 5.93
Sigma 2 TMEM97 78.13 1118.32 average (n=2) 5.96
5-HT1A HTR1A 16.45
5-HT1D HTR1D 16.87
5-HT1E HTR1E 30.94
5-HT2A HTR2A 5.87
5-HT2B HTR2B 74.50 558.19 average (n=2) 6.26
5-HT6 HTR6 72.41 5239.62 5.28
5-HT7A HTR7 40.88
D1 DRD1 -2.56
D3 DRD3 28.56
D5 DRD5 5.50
5-HT2C HTR2C 20.21
5-HT3 HTR3A 72.07 5461.68 average (n=2) 5.27
5-HT5A HTR5A 19.93
Beta2 ADRB2 25.44
DAT SLC6A3 -15.44
H1 HRH1 37.38
H2 HRH2 14.82
H3 HRH3 -4.94
NET SLC6A2 -23.56
SERT SLC6A4 40.26
D4 DRD4 16.46
H4 HRH4 2.33
KOR OPRK1 21.62
MOR OPRM1 22.39
GABAA 7.90
GABA/PBR 20.17
Beta1 ADRB1 20.93
Beta3 ADRB3 11.68

BAY-070


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
Beta1 ADRB1 19.91
Beta3 ADRB3 19.51
GABAA/BZP -6.05
GABAA -11.95
GABA/PBR 13.72
Alpha1A ADRA1A 6.33
Alpha1B ADRA1B 7.64
Alpha1D ADRA1D 14.41
Alpha2A ADRA2A 27.05
Alpha2B ADRA2B 21.99
Alpha2C ADRA2C 19.91
M2 CHRM2 10.09
Sigma 1 SIGMAR1 80.05 1286.45 average (n=2) 5.89
Sigma 2 TMEM97 97.99 151.89 average (n=2) 6.82
5-HT1A HTR1A 10.19
5-HT1B HTR1B 4.71
5-HT1D HTR1D -0.96
5-HT1E HTR1E -21.21
5-HT2A HTR2A -4.20
5-HT2B HTR2B 71.99 1582.15 average (n=2) 5.82
5-HT6 HTR6 31.36
5-HT7A HTR7 10.08
D1 DRD1 -13.90
D2 DRD2 44.65
D3 DRD3 47.59
5-HT2C HTR2C 8.59
5-HT3 HTR3A 45.09
5-HT5A HTR5A 16.25
Beta2 ADRB2 22.99
DOR OPRD1 3.76
H1 HRH1 0.44
H2 HRH2 1.91
H3 HRH3 -7.57
M1 CHRM1 43.35
M3 CHRM3 16.10
M4 CHRM4 14.70
M5 CHRM5 13.53
SERT SLC6A4 7.08
D4 DRD4 43.97
D5 DRD5 5.35
DAT SLC6A3 -1.09
H4 HRH4 -9.17
KOR OPRK1 18.14
MOR OPRM1 9.54
NET SLC6A2 -3.53

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BAY-179

Data are from Bayer in house proliferation assay.

Conclusion: Several cancer cell lines were identified to be highly sensitive towards Complex 1 inhibition.

Tumor type Cell line Species Cell Proliferation EC50 [µM] Patient derived Cell Proliferation EC70 [µM]
Bladder BXF135 2 Homo sapiens 0.02 Yes 0.05
Gastric MKN1 Homo sapiens 0.03 No 0.09
Bladder BXF121 8 Homo sapiens 0.07 Yes 0.10
Colon LS174T Homo sapiens 0.04 No 0.11
Gastric GXF25 1 Homo sapiens 0.08 Yes 0.15
Lung LXFA62 9 Homo sapiens 0.07 Yes 0.20
Ovary BG1 Homo sapiens 0.14 No 0.21
Colon Caco-2 Homo sapiens 0.13 No 0.21
Melanoma SK- MEL-28 Homo sapiens 0.08 No 0.22
Colon RKO Homo sapiens 0.15 No 0.25
Melanoma LOX Homo sapiens 0.13 No 0.34