Selectivity data for probe BAY1125976 and control BAY-940


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BAY1125976


Compound concentration: 10 µM
Receptor HGNC target name Inhibition [%] (Primary experimental value) Ki [nM] (Secondary experimental value) pKi
5-HT1B HTR1B 10.23
5-HT1D HTR1D 12.22
5-HT1A HTR1A 32.73
Sigma 2 TMEM97 39.93
5-HT2A HTR2A 8.08
5-HT2B HTR2B 13.39
Alpha1A ADRA1A 39.41
Alpha1B ADRA1B -8.97
Alpha1D ADRA1D 37.75
Beta1 ADRB1 16.78
Beta2 ADRB2 21.48
D1 DRD1 -3.80
D3 DRD3 22.59
D5 DRD5 23.44
GABAA -13.09
H1 HRH1 30.84
H2 HRH2 0.95
H3 HRH3 14.61
H4 HRH4 -24.61
M1 CHRM1 71.91 1454.31 average (n=2) 5.87
M2 CHRM2 11.18
M3 CHRM3 20.09
M4 CHRM4 12.38
M5 CHRM5 1.83
NET SLC6A2 47.47
GABA/PBR 40.52
5-HT1E HTR1E -13.62
5-HT2C HTR2C 25.70
5-HT3 HTR3A 10.79
5-HT5A HTR5A 9.78
5-HT6 HTR6 17.75
5-HT7A HTR7 12.88
Alpha2A ADRA2A 6.89
Alpha2B ADRA2B 28.66
Alpha2C ADRA2C 38.92
Beta3 ADRB3 11.36
GABAA/BZP 38.00
D2 DRD2 -1.55
D4 DRD4 7.35
DAT SLC6A3 40.03
DOR OPRD1 26.91
KOR OPRK1 25.42
MOR OPRM1 31.14
SERT SLC6A4 14.78
Sigma 1 SIGMAR1 -1.31

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BAY1125976

The proliferation assay was performed in 13 human breast cancer cell lines as well as 10 other cancer cell lines with alterations in PI3K/AKT/mTOR pathway components. Cell viability was determined using the CellTiter-GloVR Luminescent Cell Viability Assay (Promega). Shown are data from PMID: 27699769 (Table 1). (ER+: estrogen receptor positive; ER-: estrogen receptor negative; TN: triple-negative, i.e. does not express the genes for estrogen, progesterone receptors and ERBB2)

Conclusion: BAY1125976 inhibited the proliferation of the breast cancer cell lines BT-474, T47D, MCF7, ZR-75–1, EVSA-T, MDAMB-453, KPL-4 and BT20 as well as the prostate cancer cell lines LNCaP and LAPC-4 with submicromolar IC50 values.

Tumor type Cell line Species Cell Proliferation IC50 [µM] Mutation status
Bladder cancer KU-19-19 Homo sapiens 9.22 AKT (p.E17K), NRAS (Q61R), PIK3CA (R1023Q)
Breast cancer (luminal, ER-) BT-474 Homo sapiens 0.02 PIK3CA (p.K111N)
Breast cancer (luminal, ER+) T47D Homo sapiens 0.06 PIK3CA (p.H1047R)
Breast cancer (luminal, ER+) MCF7 Homo sapiens 0.06 PIK3CA (p.E545K)
Breast cancer (luminal, ER+) ZR-75-1 Homo sapiens 0.07 PTEN (p.L108R)
Breast cancer (luminal, ER-) EVSA-T Homo sapiens 0.12 PTEN (p.T319fs *1)
Breast cancer (luminal, ER-) MDA-MB-453 Homo sapiens 0.12 PIK3CA (p.H1047R), PTEN (p.E307K)
Breast cancer (ER-) KPL-4 Homo sapiens 0.17 PIK3CA (p.H1047R)
Breast cancer (basal, TN) BT-20 Homo sapiens 0.39 PIK3CA (p.P539R)
Breast cancer (basal, TN) MDA-MB-468 Homo sapiens 6.47 PIK3CA (p.E545A), PTEN (p.L70fs*7)
Breast cancer (basal, TN) BT-549 Homo sapiens 8.44 PTEN (p.V275fs*1)
Breast cancer (basal, ER+) HCC70 Homo sapiens 8.44 PTEN (p.F90fs*9)
Breast cancer (basal, ER+) CAL-120 Homo sapiens 10.00
Breast cancer (basal, TN) MDA-MB-231 Homo sapiens 10.00 BRAF (p.G464V) , KRAS (p.G13D)
Cervic cancer HeLa-MaTu ADR Homo sapiens 0.96 EGFR (p.I601L), PIK3CA (p.H1047R)
Cervic cancer HeLa Homo sapiens 10.00
Colon cancer Caco-2 Homo sapiens 1.56
Melanoma B16F10 Homo sapiens 2.18
Melanoma A2058 Homo sapiens 7.68 BRAF (p.V600E) , PTEN (p.V175fs*3)
Nonsmall cell lung carcinoma NCI-H460 Homo sapiens 1.54 KRAS (p.Q61H), PIK3CA (p.E545K)
Prostate cancer LAPC-4 Homo sapiens 0.04 AKT (E17K), NRAS (G12D)
Prostate cancer LNCaP Homo sapiens 0.05 KRAS (p.G12V), PTEN (pK6fs* 4)
Prostate cancer DU-145 Homo sapiens 3.00 KRAS (p.G12V)