Selectivity data for probe BI-2081 and control BI-0340
Jump to control PDSP data
BI-2081
Compound concentration: 10 µM| Receptor | HGNC target name | Inhibition [%] (Primary experimental value) | Ki [nM] (Secondary experimental value) | pKi |
|---|---|---|---|---|
| 5-HT1A | HTR1A | 22.58 | ||
| 5-HT1B | HTR1B | 18.57 | ||
| 5-HT1D | HTR1D | 6.65 | ||
| 5-HT2A | HTR2A | -0.30 | ||
| 5-HT2C | HTR2C | -4.94 | ||
| 5-HT3 | HTR3A | 9.64 | ||
| 5-HT5A | HTR5A | 5.48 | ||
| 5-HT6 | HTR6 | -2.53 | ||
| 5-HT7A | HTR7 | 12.96 | ||
| Alpha1A | ADRA1A | -8.92 | ||
| Alpha1B | ADRA1B | -7.32 | ||
| Alpha1D | ADRA1D | 5.84 | ||
| Alpha2A | ADRA2A | 16.59 | ||
| Alpha2B | ADRA2B | -1.99 | ||
| Alpha2C | ADRA2C | 14.51 | ||
| Beta1 | ADRB1 | 4.62 | ||
| Beta2 | ADRB2 | -12.59 | ||
| Beta3 | ADRB3 | 20.16 | ||
| GABAA/BZP | 66.74 | |||
| D1 | DRD1 | 0.05 | ||
| D2 | DRD2 | 3.28 | ||
| D3 | DRD3 | -6.42 | ||
| D4 | DRD4 | -12.54 | ||
| D5 | DRD5 | 15.10 | ||
| DAT | SLC6A3 | 26.84 | ||
| DOR | OPRD1 | 24.40 | ||
| H1 | HRH1 | 10.26 | ||
| H3 | HRH3 | 9.84 | ||
| H4 | HRH4 | -5.97 | ||
| KOR | OPRK1 | 8.37 | ||
| M1 | CHRM1 | -3.94 | ||
| M2 | CHRM2 | -3.23 | ||
| M3 | CHRM3 | 68.18 | ||
| M4 | CHRM4 | -11.50 | ||
| M5 | CHRM5 | -4.38 | ||
| MOR | OPRM1 | 15.57 | ||
| NET | SLC6A2 | 9.38 | ||
| GABA/PBR | 40.42 | |||
| SERT | SLC6A4 | 4.25 | ||
| Sigma 1 | TMEM97 | 25.45 | ||
| Sigma 2 | SIGMAR1 | 13.09 | ||
| 5-HT2B | HTR2B | 3.41 |
BI-0340
Compound concentration: 10 µM| Receptor | HGNC target name | Inhibition [%] (Primary experimental value) | Ki [nM] (Secondary experimental value) | pKi |
|---|---|---|---|---|
| 5-HT1A | HTR1A | 31.13 | ||
| 5-HT1B | HTR1B | 5.08 | ||
| 5-HT1D | HTR1D | -3.85 | ||
| 5-HT2A | HTR2A | -2.26 | ||
| 5-HT2C | HTR2C | 2.87 | ||
| 5-HT3 | HTR3A | 1.85 | ||
| 5-HT5A | HTR5A | 9.98 | ||
| 5-HT6 | HTR6 | -8.04 | ||
| 5-HT7A | HTR7 | 3.29 | ||
| Alpha1A | ADRA1A | -12.12 | ||
| Alpha1B | ADRA1B | -4.90 | ||
| Alpha1D | ADRA1D | -5.90 | ||
| Alpha2A | ADRA2A | 5.14 | ||
| Alpha2B | ADRA2B | 3.95 | ||
| Alpha2C | ADRA2C | 5.58 | ||
| Beta1 | ADRB1 | -11.41 | ||
| Beta2 | ADRB2 | 2.56 | ||
| Beta3 | ADRB3 | 11.63 | ||
| GABAA/BZP | 30.67 | |||
| D1 | DRD1 | -9.32 | ||
| D2 | DRD2 | 8.15 | ||
| D3 | DRD3 | 20.39 | ||
| D4 | DRD4 | 12.92 | ||
| D5 | DRD5 | 13.55 | ||
| DAT | SLC6A3 | 1.43 | ||
| DOR | OPRD1 | 20.76 | ||
| H1 | HRH1 | -1.92 | ||
| H3 | HRH3 | 3.00 | ||
| H4 | HRH4 | -2.95 | ||
| KOR | OPRK1 | 20.57 | ||
| M1 | CHRM1 | 7.17 | ||
| M2 | CHRM2 | -3.61 | ||
| M3 | CHRM3 | -1.57 | ||
| M4 | CHRM4 | -8.43 | ||
| M5 | CHRM5 | -1.63 | ||
| MOR | OPRM1 | 13.72 | ||
| NET | SLC6A2 | 11.12 | ||
| GABA/PBR | 36.07 | |||
| SERT | SLC6A4 | -1.62 | ||
| Sigma 1 | TMEM97 | 15.16 | ||
| Sigma 2 | SIGMAR1 | -0.91 | ||
| 5-HT2B | HTR2B | -21.61 |
BI-2081
Conclusion: Closest off-targets within the GPCR family are (Kd [µM]): ADRA2C (0.840), ADRA2A (1.3), CHRM3 (2.9); HRH1 (3.1), PTGER4 (4.6), ADRA2B (21). Closest off-targets outside the target family are: PPARG (0.470) and THRA (rat, 3.5).
| Target protein | HGNC name | Species | % control at 10 µM | % control at 30 µM | % control at 3 µM | % control at 1 µM | % control at 0.3 µM | % control at 0.1 µM | Mode of action | Assay |
|---|---|---|---|---|---|---|---|---|---|---|
| CCKA/H | CCKAR | Homo sapiens | 103.0 | Radioactive Assay | ||||||
| CCKB/H | CCKBR | Homo sapiens | 96.0 | Radioactive Assay | ||||||
| PPARG/H AG | PPARG | Homo sapiens | 8.0 | agonist | Radioactive Assay | |||||
| PPAR_ALPHA | PPARA | Homo sapiens | 119.0 | agonist | Radioligand Binding | |||||
| 5HT1A/HU | HTR1A | Homo sapiens | 118.0 | Radioactive Assay | ||||||
| 5HT2B/HU | HTR2B | Homo sapiens | 82.0 | Radioactive Assay | ||||||
| 5HT3/HU | HTR3A | Homo sapiens | 100.0 | Others | ||||||
| 5HTTRANS/HU | SLC6A4 | Homo sapiens | 106.0 | Radioactive Assay | ||||||
| A1/HU | ADORA1 | Homo sapiens | 68.0 | Radioactive Assay | ||||||
| A2A/HU | ADORA2A | Homo sapiens | 125.0 | |||||||
| A3/H | ADORA3 | Homo sapiens | 100.0 | |||||||
| ALPHA1A/R | ADRA1A | Rattus norvegicus | 73.0 | Others | ||||||
| ALPHA1B/R | ADRA1B | Rattus norvegicus | 114.0 | Radioactive Assay | ||||||
| ALPHA1D/H | ADRA1D | Homo sapiens | 85.0 | Others | ||||||
| ALPHA2A/H | ADRA2A | Homo sapiens | 5.5 | 64.00 | 83.00 | 90.00 | 93.00 | Radioactive Assay | ||
| ALPHA2B/H | ADRA2B | Homo sapiens | 90.0 | 75.00 | 103.00 | 98.00 | 97.00 | |||
| ALPHA2C/H | ADRA2C | Homo sapiens | 23.0 | 1.00 | 82.00 | 95.00 | 100.00 | 93.00 | Radioactive Assay | |
| B1/H | BDKRB1 | Homo sapiens | 91.0 | Radioactive Assay | ||||||
| B2/H | BDKRB2 | Homo sapiens | 103.0 | antagonist | Radioligand Binding | |||||
| BETA1/HU | ADRB1 | Homo sapiens | 98.0 | Radioactive Assay | ||||||
| BETA2/HU | ADRB2 | Homo sapiens | 109.0 | Radioactive Assay | ||||||
| CA+/DHPSI/RA | CACNA1C | Rattus norvegicus | 90.0 | Radioactive Assay | ||||||
| CA+/DILSI/RA | CACNA1C | Rattus norvegicus | 100.0 | Radioactive Assay | ||||||
| CA+/N/RA | CACNA1B | Rattus norvegicus | 113.0 | Radioactive Assay | ||||||
| CB1 | CNR1 | Homo sapiens | 100.0 | Radioligand Binding | ||||||
| CYSLT1_HS | CYSLTR1 | Homo sapiens | 31.0 | Radioactive Assay | ||||||
| D1/HU | DRD1 | Homo sapiens | 81.0 | Radioactive Assay | ||||||
| D2S/HU | DRD2 | Homo sapiens | 100.0 | Not applicable | Radioligand Binding | |||||
| D3/HU | DRD3 | Homo sapiens | 63.0 | Radioactive Assay | ||||||
| D4.2/H | DRD4 | Homo sapiens | 99.0 | Radioactive Assay | ||||||
| DATRANS/H | SLC6A3 | Homo sapiens | 68.0 | inhibitor | Radioactive Assay | |||||
| DELTA/HU | OPRD1 | Homo sapiens | 74.0 | Scintillation counting | ||||||
| EGF/HU | EGFR | Homo sapiens | 99.0 | Radioactive Assay | ||||||
| ERALPHA/H | ESR1 | Homo sapiens | 103.0 | Radioactive Assay | ||||||
| ETA/HU | EDNRA | Homo sapiens | 91.0 | Radioactive Assay | ||||||
| ETB/HUM | EDNRB | Homo sapiens | 63.0 | Radioactive Assay | ||||||
| GABAA MUSCIMOL CENT | GABRA1 | Rattus norvegicus | 87.0 | Scintillation counting | ||||||
| GABAACENTR | GABRA1 | Rattus norvegicus | 83.0 | Radioactive Assay | ||||||
| GABATRANS/RA | SLC6A1 | Rattus norvegicus | 88.0 | Radioactive Assay | ||||||
| GABA_B1A | GABRB1 | Homo sapiens | 87.0 | Radioactive Assay | ||||||
| GLUCOCORTICO | NR3C1 | Homo sapiens | 67.0 | Radioligand Binding | ||||||
| H1/H | HRH1 | Homo sapiens | 39.0 | 17.00 | 68.00 | 87.00 | 90.00 | Radioactive Assay | ||
| H2/H | HRH2 | Homo sapiens | 95.0 | Radioactive Assay | ||||||
| H3/H | HRH3 | Homo sapiens | 111.0 | Not applicable | Radioligand Binding | |||||
| I2/CENTR/R | GNAI2 | Rattus norvegicus | 86.0 | Radioactive Assay | ||||||
| IL-1 | IL1B | Mus musculus | 100.0 | Radioligand Binding | ||||||
| K+/HERG | KCNH2 | Homo sapiens | 80.0 | Radioactive Assay | ||||||
| K+/KATP/HA | KCNJ1 | Cricetinae | 95.0 | Radioactive Assay | ||||||
| KAINATE/R | GRIK1 | Rattus norvegicus | 117.0 | Radioactive Assay | ||||||
| KAPPA/HU | OPRK1 | Homo sapiens | 106.0 | Radioactive Assay | ||||||
| M1/HU | CHRM1 | Homo sapiens | 83.0 | Radioactive Assay | ||||||
| M2/HU | CHRM2 | Homo sapiens | 92.0 | Radioactive Assay | ||||||
| M3/HU | CHRM3 | Homo sapiens | 54.0 | 28.00 | 60.00 | 75.00 | 83.00 | Radioactive Assay | ||
| MT1/H | MTNR1A | Homo sapiens | 98.0 | Radioactive Assay | ||||||
| MU/HU | OPRM1 | Homo sapiens | 76.0 | Radioactive Assay | ||||||
| NACH/H | CHRNA1 | Homo sapiens | 115.0 | Radioligand Binding | ||||||
| NACH_BS_N/H |
CHRNA1 CHRNB1 |
Homo sapiens | 84.0 | Radioactive Assay | ||||||
| NETRANS/H | SLC6A2 | Homo sapiens | 68.0 | Radioactive Assay | ||||||
| NK1/HU | TACR1 | Homo sapiens | 113.0 | Radioligand Binding | ||||||
| NMDAAGSI/RA | Rattus norvegicus | 89.0 | agonist | Radioactive Assay | ||||||
| NMDAGLSI/RA | GRIN1 | Rattus norvegicus | 86.0 | inhibitor | Scintillation counting | |||||
| NMDAPHSI/R | GRIN2A | Rattus norvegicus | 103.0 | Radioactive Assay | ||||||
| P2X/RB | P2RX1 | Oryctolagus cuniculus | 122.0 | Radioactive Assay | ||||||
| P2Y/RAT | P2RY1 | Rattus norvegicus | 87.0 | Radioactive Assay | ||||||
| PAF/H | PTAFR | Homo sapiens | 97.0 | Radioactive Assay | ||||||
| PEP4_HU | PTGER4 | Homo sapiens | 55.0 | 11.00 | 92.00 | 108.00 | 102.00 | Radioligand Binding | ||
| PHORBOLE/M | PRKCA | Mus musculus | 84.0 | inhibitor | Radioactive Assay | |||||
| ROLIPRAM/R | PDE4A | Rattus norvegicus | 105.0 | Radioligand Binding | ||||||
| SIGMA1/HU | SIGMAR1 | Homo sapiens | 91.0 | Radioactive Assay | ||||||
| TESTOST/RA | AR | Rattus norvegicus | 75.0 | Others | ||||||
| THYROID HORM | THRA | Rattus norvegicus | 39.5 | 2.00 | 77.00 | 95.00 | 97.00 | Radioactive Assay | ||
| Y1/HU | NPY1R | Homo sapiens | 108.0 | Radioactive Assay | ||||||
| Y2/HU | NPY2R | Homo sapiens | 99.0 | Radioactive Assay |
BI-0340
Conclusion: Clean panel.
| Target protein | HGNC name | Species | Cmp. conc. | % Control | Assay ID |
|---|---|---|---|---|---|
| 5HT1B(H) | HTR1B | Homo sapiens | 10 µM | 97.0 | Cerep_4376 |
| CB1(HU)_AGON | CNR1 | Homo sapiens | 10 µM | 102.0 | Cerep_4708 |
| COX-1 | PTGS1 | Homo sapiens | 10 µM | 88.0 | Cerep_4173 |
| COX-2 | PTGS2 | Homo sapiens | 10 µM | 81.0 | Cerep_4186 |
| KAPPA(KOP)_HU | OPRK1 | Homo sapiens | 10 µM | 96.0 | Cerep_4461 |
| 5HT1A/H | HTR1A | Homo sapiens | 10 µM | 103.0 | Cerep_131 |
| 5HT2AH_AGON | HTR2A | Homo sapiens | 10 µM | 101.0 | Cerep_471 |
| 5HT2B/H AG | HTR2B | Homo sapiens | 10 µM | 103.0 | Cerep_1333 |
| 5HT3/H | HTR3A | Homo sapiens | 10 µM | 106.0 | Cerep_411 |
| A2A/H | ADORA2A | Homo sapiens | 10 µM | 102.0 | Cerep_4 |
| ACE(HU_AMTCH400) | ACHE | Homo sapiens | 10 µM | 99.0 | Old_Cerep_363 |
| ALPHA1AH_ANTAG | ADRA1A | Homo sapiens | 10 µM | 95.0 | Cerep_2338 |
| ALPHA2A/HU | ADRA2A | Homo sapiens | 10 µM | 94.0 | Cerep_13 |
| ANDROGEN/H | AR | Homo sapiens | 10 µM | 102.0 | Cerep_933 |
| BETA1/HUM | ADRB1 | Homo sapiens | 10 µM | 88.0 | Cerep_18 |
| BETA2/HUM | ADRB2 | Homo sapiens | 10 µM | 99.0 | Cerep_20 |
| BZD/CENTR/R | Rattus norvegicus | 10 µM | 109.0 | Cerep_28 | |
| CA+/DHPSI/R | Rattus norvegicus | 10 µM | 90.0 | Old_Cerep_161 | |
| CB2/PERIPH/H | CNR2 | Homo sapiens | 10 µM | 115.0 | Cerep_37 |
| CCKA/H | CCKAR | Homo sapiens | 10 µM | 82.0 | Old_Cerep_39 |
| D1/H | DRD1 | Homo sapiens | 10 µM | 87.0 | Cerep_44 |
| D2SH_AGON | DRD2 | Homo sapiens | 10 µM | 88.0 | Cerep_1322 |
| DATRANS/HUM | SLC6A3 | Homo sapiens | 10 µM | 84.0 | Old_Cerep_52 |
| DELTA2/H | OPRD1 | Homo sapiens | 10 µM | 89.0 | Cerep_114 |
| ETA/H | EDNRA | Homo sapiens | 10 µM | 56.0 | Cerep_54 |
| GCORTICOID/H | NR3C1 | Homo sapiens | 10 µM | 43.0 | Old_Cerep_469 |
| H1/PYRIL/HS | HRH1 | Homo sapiens | 10 µM | 87.0 | Cerep_870 |
| H2/APT/HS | HRH2 | Homo sapiens | 10 µM | 93.0 | Cerep_1208 |
| HERG_DOFETILIDE | KCNH2 | Homo sapiens | 10 µM | 93.0 | Cerep_4094 |
| K+/VOLT/RA | Rattus norvegicus | 10 µM | 108.0 | Cerep_166 | |
| LCK_CE | LCK | Homo sapiens | 10 µM | 77.0 | Old_Cerep_2906 |
| M1/H | CHRM1 | Homo sapiens | 10 µM | 112.0 | Cerep_91 |
| M2/H | CHRM2 | Homo sapiens | 10 µM | 112.0 | Cerep_93 |
| M3/H | CHRM3 | Homo sapiens | 10 µM | 95.0 | Cerep_95 |
| MAO-A_ANTAG | MAOA | Rattus norvegicus | 10 µM | 94.0 | Cerep_443 |
| MU/H | OPRM1 | Homo sapiens | 10 µM | 75.0 | Cerep_118 |
| NA+/SITE2/R | Rattus norvegicus | 10 µM | 84.0 | Old_Cerep_169 | |
| NEUP/H | SLC6A2 | Homo sapiens | 10 µM | 83.0 | Cerep_355 |
| NMDA/R | Rattus norvegicus | 10 µM | 87.0 | Cerep_66 | |
| N_NEURO_A4B2 |
CHRNA4 CHRNB2 |
Homo sapiens | 10 µM | 112.0 | Cerep_3029 |
| PDE3A | PDE3A | Homo sapiens | 10 µM | 100.0 | Cerep_4072 |
| PDE4D2 | PDE4D | Homo sapiens | 10 µM | 103.0 | Cerep_4077 |
| SLC6A4/H | SCL6A4 | Homo sapiens | 10 µM | 109.0 | Cerep_439 |
| V1A/HUM | AVPR1A | Homo sapiens | 10 µM | 90.0 | Cerep_159 |