Selectivity data for probe BI-8668 and control BI-0337
Jump to control PDSP data
BI-8668
Compound concentration: 10 µM| Receptor | HGNC target name | Inhibition [%] (Primary experimental value) | Ki [nM] (Secondary experimental value) | pKi |
|---|---|---|---|---|
| 5-HT1A | HTR1A | -4.21 | ||
| 5-HT1B | HTR1B | 8.35 | ||
| 5-HT1D | HTR1D | 22.79 | ||
| 5-HT2A | HTR2A | -1.15 | ||
| 5-HT2C | HTR2C | 1.01 | ||
| 5-HT3 | HTR3A | 8.37 | ||
| 5-HT5A | HTR5A | -6.08 | ||
| 5-HT6 | HTR6 | -11.71 | ||
| 5-HT7A | HTR7 | 4.76 | ||
| Alpha1A | ADRA1A | -1.19 | ||
| Alpha1B | ADRA1B | 44.94 | ||
| Alpha1D | ADRA1D | 1.74 | ||
| Alpha2A | ADRA2A | 0.56 | ||
| Alpha2B | ADRA2B | 0.45 | ||
| Alpha2C | ADRA2C | 0.47 | ||
| Beta1 | ADRB1 | 4.25 | ||
| Beta2 | ADRB2 | -5.70 | ||
| Beta3 | ADRB3 | -2.81 | ||
| GABAA/BZP | 22.37 | |||
| D1 | DRD1 | -11.23 | ||
| D2 | DRD2 | -8.76 | ||
| D3 | DRD3 | 8.95 | ||
| D4 | DRD4 | 7.07 | ||
| D5 | DRD5 | -10.23 | ||
| DAT | SLC6A3 | 12.43 | ||
| DOR | OPRD1 | 3.99 | ||
| H1 | HRH1 | -1.28 | ||
| H3 | HRH3 | 85.40 | 384.59 | 6.42 |
| H4 | HRH4 | -7.37 | ||
| KOR | OPRK1 | 25.32 | ||
| M1 | CHRM1 | 10.21 | ||
| M2 | CHRM2 | 44.60 | ||
| M3 | CHRM3 | 23.30 | ||
| M4 | CHRM4 | 7.09 | ||
| M5 | CHRM5 | 18.68 | ||
| MOR | OPRM1 | 11.04 | ||
| NET | SLC6A2 | -7.54 | ||
| GABA/PBR | -1.51 | |||
| SERT | SLC6A4 | 8.39 | ||
| Sigma 1 | TMEM97 | 19.99 | ||
| Sigma 2 | SIGMAR1 | -0.91 | ||
| 5-HT2B | HTR2B | 7.03 |
BI-8668
Conclusion: Closest off-targets are CHRM3 with 20% ctrl and CHRM2 with 36 % ctrl at 10 µM.
| Target protein | HGNC name | Species | % control at 10 µM | % control at 100 µM | % control at 30 µM | Mode of action | Assay |
|---|---|---|---|---|---|---|---|
| M3/H | CHRM3 | Homo sapiens | 20.0 | Radioactive Assay | |||
| M2/H | CHRM2 | Homo sapiens | 36.0 | antagonist | Radioactive Assay | ||
| ALPHA1AH_ANTAG | ADRA1A | Homo sapiens | 45.0 | antagonist | Scintillation counting | ||
| M1/H | CHRM1 | Homo sapiens | 50.0 | Radioactive Assay | |||
| ACE(HU_AMTCH400) | ACE | Homo sapiens | 55.6 | 24.00 | 31.00 | Photometry | |
| NA+/SITE2/R | SCN1B | Rattus norvegicus | 66.0 | Radioactive Assay | |||
| DATRANS/HUM | SLC6A3 | Homo sapiens | 83.0 | inhibitor | Radioactive Assay | ||
| CCKA/H | CCKAR | Homo sapiens | 84.0 | Radioactive Assay | |||
| COX2_HU | PTGS2 | Homo sapiens | 85.0 | inhibitor | Enzyme Immunoassay | ||
| M2(H)AGON | CHRM2 | Homo sapiens | 85.2 | agonist | Scintillation counting | ||
| ALPHA1A(H)ANTAG | ADRA1A | Homo sapiens | 89.0 | antagonist | Scintillation counting | ||
| CA+/DHPSI/R | CACNA1C | Rattus norvegicus | 89.0 | inhibitor | Radioactive Assay | ||
| MAO-A_ANTAG | MAOA | 89.0 | antagonist | Scintillation counting | |||
| HERG_DOFETILIDE | KCNH2 | Homo sapiens | 91.0 | inhibitor | Scintillation counting | ||
| M2(H)ANTAG | CHRM2 | Homo sapiens | 91.0 | antagonist | Scintillation counting | ||
| 5HT2B/H AG | HTR2B | Homo sapiens | 92.0 | agonist | Radioactive Assay | ||
| BETA2/HUM | ADRB2 | Homo sapiens | 94.0 | antagonist | Radioactive Assay | ||
| DELTA2/H | OPRD1 | Homo sapiens | 95.0 | inhibitor | Radioactive Assay | ||
| LCK_CE | LCK | Homo sapiens | 95.0 | inhibitor | lanthanide chelation excitation | ||
| MU/H | OPRM1 | Homo sapiens | 95.0 | inhibitor | Radioactive Assay | ||
| M3(H)ANTAG | CHRM3 | Homo sapiens | 96.0 | antagonist | Scintillation counting | ||
| 5HT2AH_AGON | HTR2A | Homo sapiens | 97.0 | agonist | Scintillation counting | ||
| BETA1/HUM | ADRB1 | Homo sapiens | 97.0 | Radioactive Assay | |||
| SLC6A4/H | SLC6A4 | Homo sapiens | 97.0 | antagonist | Scintillation counting | ||
| CB1/CENTR/H | CNR1 | Homo sapiens | 99.0 | Radioactive Assay | |||
| K+/VOLT/RA | KCNV1 | Rattus norvegicus | 99.0 | inhibitor | Radioactive Assay | ||
| PDE4D2 | PDE4D | Homo sapiens | 99.0 | inhibitor | HTRF-homogeneous time resolved fluoresce | ||
| ALPHA1A(H)AGON | ADRA1A | Homo sapiens | 99.6 | agonist | Scintillation counting | ||
| ETA/H | EDNRA | Homo sapiens | 100.0 | Radioactive Assay | |||
| PDE3A | PDE3A | Homo sapiens | 100.0 | inhibitor | HTRF-homogeneous time resolved fluoresce | ||
| 5HT3/H | HTR3A | Homo sapiens | 101.0 | inhibitor | Radioactive Assay | ||
| D2SH_AGON | DRD2 | Homo sapiens | 101.0 | agonist | Scintillation counting | ||
| H1/PYRIL/HS | HRH1 | Homo sapiens | 101.0 | Radioactive Assay | |||
| KAPPA/R | OPRK1 | Rattus norvegicus | 101.0 | inhibitor | Radioactive Assay | ||
| N_NEURO_A4B2 |
CHRNA4 CHRNB2 |
Homo sapiens | 101.0 | agonist | Radioligand Binding | ||
| M3(H)AGON | CHRM3 | Homo sapiens | 101.6 | agonist | Scintillation counting | ||
| D1/H | DRD1 | Homo sapiens | 103.0 | antagonist | Radioactive Assay | ||
| NEUP/H | SLC6A2 | Homo sapiens | 105.0 | inhibitor | Radioactive Assay | ||
| NMDA/R | Rattus norvegicus | 105.0 | inhibitor | Radioactive Assay | |||
| ANDROGEN/H | AR | Homo sapiens | 106.0 | Radioactive Assay | |||
| COX1_HU | PTGS1 | Homo sapiens | 106.0 | inhibitor | Enzyme Immunoassay | ||
| 5HT1A/H | HTR1A | Homo sapiens | 107.0 | Radioactive Assay | |||
| V1A/HUM | AVPR1A | Homo sapiens | 109.0 | inhibitor | Radioactive Assay | ||
| A2A/H | ADORA2A | Homo sapiens | 110.0 | antagonist | Radioligand Binding | ||
| ALPHA2A/HU | ADRA2A | Homo sapiens | 112.0 | inhibitor | Radioactive Assay | ||
| 5HT1B/R | HTR1B | Rattus norvegicus | 113.0 | inhibitor | Radioactive Assay | ||
| GCORTICOID/H | NR3C1 | Homo sapiens | 115.0 | inhibitor | Radioactive Assay | ||
| H2/APT/HS | HRH2 | Homo sapiens | 117.0 | antagonist | Radioactive Assay | ||
| CB2/PERIPH/H | CNR2 | Homo sapiens | 119.0 | Radioactive Assay | |||
| BZD/CENTR/R | Rattus norvegicus | 130.0 | Radioactive Assay |
BI-0337
Conclusion: Closest off-tragets [% Ctrl] are SLC6A4 (31), CHRM3 (35), ACE (39), CHRM2 (41).
| Target protein | HGNC name | Species | % control at 10 µM | Mode of action | Assay |
|---|---|---|---|---|---|
| 5HT1B(H) | HTR1B | Homo sapiens | 94.0 | antagonist | Scintillation counting |
| CB1(HU)_AGON | CNR1 | Homo sapiens | 111.0 | agonist | Scintillation counting |
| COX-1 | PTGS1 | 84.0 | inhibitor | Fluorimetry | |
| COX-2 | PTGS2 | 82.0 | inhibitor | Fluorimetry | |
| KAPPA(KOP)_HU | OPRK1 | Homo sapiens | 97.0 | inhibitor | Radioactive Assay |
| 5HT1A/H | HTR1A | Homo sapiens | 111.0 | Radioactive Assay | |
| 5HT2AH_AGON | HTR2A | Homo sapiens | 91.0 | agonist | Scintillation counting |
| 5HT2B/H AG | HTR2B | Homo sapiens | 61.0 | agonist | Radioactive Assay |
| 5HT3/H | HTR3A | Homo sapiens | 99.0 | inhibitor | Radioactive Assay |
| A2A/H | ADORA2A | Homo sapiens | 105.0 | antagonist | Radioligand Binding |
| ACE(HU_AMTCH400) | ACE | Homo sapiens | 39.0 | Photometry | |
| ALPHA1AH_ANTAG | ADRA1A | Homo sapiens | 63.0 | antagonist | Scintillation counting |
| ALPHA2A/HU | ADRA2A | Homo sapiens | 97.0 | inhibitor | Radioactive Assay |
| ANDROGEN/H | AR | Homo sapiens | 99.0 | Radioactive Assay | |
| BETA1/HUM | ADRB1 | Homo sapiens | 105.0 | Radioactive Assay | |
| BETA2/HUM | ADRB2 | Homo sapiens | 104.0 | antagonist | Radioactive Assay |
| BZD/CENTR/R | Rattus sp. | 96.0 | Radioactive Assay | ||
| CA+/DHPSI/R | CACNA1C | Rattus sp. | 87.0 | inhibitor | Radioactive Assay |
| CB2/PERIPH/H | CNR2 | Homo sapiens | 96.0 | Radioactive Assay | |
| CCKA/H | CCKAR | Homo sapiens | 82.0 | Radioactive Assay | |
| D1/H | DRD1 | Homo sapiens | 102.0 | antagonist | Radioactive Assay |
| D2SH_AGON | DRD2 | Homo sapiens | 79.0 | agonist | Scintillation counting |
| DATRANS/HUM | SLC6A3 | Homo sapiens | 90.0 | inhibitor | Radioactive Assay |
| DELTA2/H | OPRD1 | Homo sapiens | 97.0 | inhibitor | Radioactive Assay |
| ETA/H | EDNRA | Homo sapiens | 104.0 | Radioactive Assay | |
| GCORTICOID/H | NR3C1 | Homo sapiens | 97.0 | inhibitor | Radioactive Assay |
| H1/PYRIL/HS | HRH1 | Homo sapiens | 94.0 | Radioactive Assay | |
| H2/APT/HS | HRH2 | Homo sapiens | 120.0 | antagonist | Radioactive Assay |
| HERG_DOFETILIDE | KCNH2 | Homo sapiens | 81.0 | inhibitor | Scintillation counting |
| K+/VOLT/RA | KCNV1 | Rattus sp. | 103.0 | inhibitor | Radioactive Assay |
| LCK_CE | LCK | Homo sapiens | 60.0 | inhibitor | lanthanide chelation excitation |
| M1/H | CHRM1 | Homo sapiens | 76.0 | Radioactive Assay | |
| M2/H | CHRM2 | Homo sapiens | 41.0 | antagonist | Radioactive Assay |
| M3/H | CHRM3 | Homo sapiens | 35.0 | Radioactive Assay | |
| MAO-A_ANTAG | MAOA | Homo sapiens | 95.0 | antagonist | Scintillation counting |
| MU/H | OPRM1 | Homo sapiens | 95.0 | inhibitor | Radioactive Assay |
| NA+/SITE2/R | SCN1B | Rattus sp. | 87.0 | Radioactive Assay | |
| NEUP/H | SLC6A2 | Homo sapiens | 91.0 | inhibitor | Radioactive Assay |
| NMDA/R | Rattus sp. | 100.0 | inhibitor | Radioactive Assay | |
| N_NEURO_A4B2 |
CHRNA4 CHRNB2 |
Homo sapiens | 103.0 | agonist | Radioligand Binding |
| PDE3A | PDE3A | Homo sapiens | 87.0 | inhibitor | HTRF-homogeneous time resolved fluoresce |
| PDE4D2 | PDE4D | Homo sapiens | 87.0 | inhibitor | Scintillation counting |
| SLC6A4/H | SLC6A4 | Homo sapiens | 31.0 | antagonist | Scintillation counting |
| V1A/HUM | AVPR1A | Homo sapiens | 107.0 | inhibitor | Radioactive Assay |