Selectivity data for probe MSC-4381 and control MSC-0516
Jump to control PDSP data
MSC-4381
Compound concentration: 10 µM| Receptor | HGNC target name | Inhibition [%] (Primary experimental value) | Ki [nM] (Secondary experimental value) | pKi |
|---|---|---|---|---|
| 5-HT1E | HTR1E | -51.72 | > 10000.00 | < 5.00 |
| 5-HT2C | HTR2C | 24.42 | ||
| 5-HT3 | HTR3A | 9.43 | ||
| 5-HT5A | HTR5A | -24.65 | 1625.17 | 5.79 |
| 5-HT6 | HTR6 | 25.86 | ||
| 5-HT7A | HTR7 | 2.02 | ||
| Alpha2A | ADRA2A | 26.01 | ||
| Alpha2B | ADRA2B | 14.98 | ||
| Alpha2C | ADRA2C | 27.69 | ||
| GABAA/BZP | 0.15 | |||
| D2 | DRD2 | 9.90 | ||
| D4 | DRD4 | 4.20 | ||
| DAT | SLC6A3 | 23.42 | ||
| DOR | OPRD1 | -8.88 | ||
| KOR | OPRK1 | -10.84 | ||
| MOR | OPRM1 | -10.57 | ||
| SERT | SLC6A4 | 6.49 | ||
| Sigma 1 | SIGMAR1 | -6.66 | ||
| 5-HT2A | HTR2A | -0.22 | ||
| 5-HT2B | HTR2B | 8.83 | ||
| Alpha1A | ADRA1A | 13.26 | ||
| Alpha1B | ADRA1B | -9.40 | ||
| Alpha1D | ADRA1D | 20.80 | ||
| Beta1 | ADRB1 | 18.83 | ||
| Beta2 | ADRB2 | 14.81 | ||
| Beta3 | ADRB3 | -35.00 | ||
| D1 | DRD1 | 8.58 | ||
| D3 | DRD3 | -30.53 | ||
| D5 | DRD5 | 47.73 | ||
| GABAA | -15.68 | |||
| H1 | HRH1 | 21.72 | ||
| H2 | HRH2 | 24.17 | ||
| H3 | HRH3 | -12.92 | ||
| H4 | HRH4 | -39.36 | ||
| M1 | CHRM1 | 16.34 | ||
| M2 | CHRM2 | -0.58 | ||
| M3 | CHRM3 | 9.34 | ||
| M4 | CHRM4 | 4.24 | ||
| M5 | CHRM5 | -6.26 | ||
| NET | SLC6A2 | 34.39 | ||
| GABA/PBR | 44.98 | |||
| 5-HT1A | HTR1A | 18.60 | ||
| Sigma 2 | TMEM97 | -20.88 | ||
| 5-HT1B | HTR1B | -21.84 | ||
| 5-HT1D | HTR1D | -12.63 |
MSC-0516
Compound concentration: 10 µM| Receptor | HGNC target name | Inhibition [%] (Primary experimental value) | Ki [nM] (Secondary experimental value) | pKi |
|---|---|---|---|---|
| Alpha1B | ADRA1B | 16.85 | ||
| 5-HT1B | HTR1B | 10.61 | ||
| 5-HT1D | HTR1D | 11.44 | ||
| 5-HT1A | HTR1A | 40.25 | ||
| M2 | CHRM2 | 2.62 | ||
| 5-HT2A | HTR2A | 9.61 | ||
| 5-HT2B | HTR2B | 34.91 | ||
| Alpha1A | ADRA1A | 13.70 | ||
| Alpha1D | ADRA1D | 1.48 | ||
| Beta1 | ADRB1 | 16.69 | ||
| Beta2 | ADRB2 | -2.19 | ||
| D1 | DRD1 | 17.83 | ||
| D3 | DRD3 | -9.21 | ||
| D5 | DRD5 | -11.18 | ||
| GABAA | 19.36 | |||
| H1 | HRH1 | -1.47 | ||
| H2 | HRH2 | -19.52 | ||
| H3 | HRH3 | 6.76 | ||
| H4 | HRH4 | -17.42 | ||
| M1 | CHRM1 | 25.00 | ||
| M3 | CHRM3 | -24.36 | ||
| M4 | CHRM4 | -5.83 | ||
| M5 | CHRM5 | -3.36 | ||
| NET | SLC6A2 | -7.14 | ||
| GABA/PBR | 60.37 | 733.68 average (n=2) | 6.14 | |
| 5-HT1E | HTR1E | 20.64 | ||
| 5-HT2C | HTR2C | 7.95 | ||
| 5-HT3 | HTR3A | 1.13 | ||
| 5-HT5A | HTR5A | 12.22 | ||
| 5-HT6 | HTR6 | 65.46 | 1523.62 average (n=2) | 5.84 |
| 5-HT7A | HTR7 | -2.53 | ||
| Alpha2A | ADRA2A | 44.41 | ||
| Alpha2B | ADRA2B | 8.34 | ||
| Alpha2C | ADRA2C | 13.03 | ||
| Beta3 | ADRB3 | -18.97 | ||
| GABAA/BZP | 25.58 | |||
| D2 | DRD2 | -0.32 | ||
| D4 | DRD4 | 4.65 | ||
| DAT | SLC6A3 | 80.27 | 9585.29 average (n=3) | 5.02 |
| DOR | OPRD1 | 84.33 | 597.96 average (n=2) | 6.23 |
| KOR | OPRK1 | 11.04 | ||
| MOR | OPRM1 | 35.43 | ||
| SERT | SLC6A4 | 3.99 | ||
| Sigma 1 | SIGMAR1 | 18.70 | ||
| Sigma 2 | TMEM97 | 24.99 |
MSC-4381
Compound binding was calculated as a % inhibition of the binding of a radioactively labeled ligand specific for each target. Results showing an inhibition higher than 50 % are considered to represent significant effects of the probe. The results are expressed as a percent inhibition of control specific activity: 100-((measured specific activity/ control specific activity) * 100). Low to moderate negative values have no real meaning and are attributable to variability of the signal around the control level. High negative values (≥ 50 %) that are sometimes obtained with high concentrations of test compounds are generally attributable to nonspecific effects of the test compounds in the assays.
Conclusion: Closest hits are AVPR1A (92.3 % inhibition of control specific binding), ADORA1 (56.2 % inhibition of control specific binding) and Cl- channel (GABA-gated) (59.9% inhibition of control specific binding).
| Target protein | HGNC name | Species | Cmp. conc. | Mean [% Inhibition of Control Specific Binding] | First measurement | Second measurement | Reference compound name | Reference compound IC50 [nM] | Assay ID |
|---|---|---|---|---|---|---|---|---|---|
| A1 (h) | ADORA1 | Homo sapiens | 10 µM | 56.2 | 51.50 | 60.90 | DPCPX | 1.60 | Cerep_2 |
| A2A (h) | ADORA2A | Homo sapiens | 10 µM | -5.5 | -17.60 | 6.60 | NECA | 26.00 | Cerep_4 |
| A3 (h) | ADORA3 | Homo sapiens | 10 µM | 28.1 | 30.00 | 26.20 | IB-MECA | 0.36 | Cerep_6 |
| Alpha1 (non-selective) |
ADRA1A ADRA1B ADRA1D |
Rattus norvegicus | 10 µM | 6.6 | 11.40 | 1.80 | prazosin | 0.28 | Cerep_8 |
| Alpha2 (non-selective) |
ADRA2A ADRA2B ADRA2C |
Rattus norvegicus | 10 µM | -8.2 | -12.10 | -4.30 | yohimbine | 110.00 | Cerep_11 |
| Beta1 (h) | ADRB1 | Homo sapiens | 10 µM | 17.4 | 14.70 | 20.20 | atenolol | 360.00 | Cerep_18 |
| Beta2 (h) | ADRB2 | Homo sapiens | 10 µM | -3.7 | -2.40 | -5.00 | ICI 118551 | 0.75 | Cerep_20 |
| AT1 (h) | AGTR1 | Homo sapiens | 10 µM | 4.2 | 0.40 | 8.00 | saralasin | 0.48 | Cerep_24 |
| BZD (central) | Rattus norvegicus | 10 µM | -7.6 | -5.50 | -9.70 | diazepam | 11.00 | Old_Cerep_37 | |
| B2 (h) | BDKRB2 | Homo sapiens | 10 µM | -1.1 | -2.90 | 0.80 | NPC 567 | 15.00 | Cerep_33 |
| CB1 (h) | CNR1 | Homo sapiens | 10 µM | -11.3 | -11.40 | -11.30 | CP 55940 | 2.80 | Cerep_4708 |
| CCK1 (CCKA) (h) | CCKAR | Homo sapiens | 10 µM | -18.1 | -22.30 | -13.90 | CCK-8s | 0.08 | Cerep_39 |
| D1 (h) | DRD1 | Homo sapiens | 10 µM | 28.9 | 23.00 | 34.80 | SCH 23390 | 0.49 | Cerep_44 |
| D2S (h) | DRD2 | Homo sapiens | 10 µM | 9.2 | 3.20 | 15.20 | (+)butaclamol | 3.40 | Old_Cerep_1322 |
| ETA (h) | EDNRA | Homo sapiens | 10 µM | -0.2 | 3.40 | -3.70 | endothelin-1 | 0.04 | Cerep_54 |
| GABA (non-selective) | Rattus norvegicus | 10 µM | 1.2 | 7.00 | -4.60 | GABA | 16.00 | Cerep_57 | |
| GAL2 (h) | GALR2 | Homo sapiens | 10 µM | 11.1 | 12.90 | 9.20 | galanin | 0.30 | Cerep_410 |
| CXCR2 (IL-8B) (h) | CXCR2 | Homo sapiens | 10 µM | 7.3 | 1.70 | 12.90 | IL-8 | 0.20 | Cerep_419 |
| CCR1 (h) | CCR1 | Homo sapiens | 10 µM | -4.3 | -5.20 | -3.50 | MIP-1alpha | 0.05 | Cerep_361 |
| H1 (h) | HRH1 | Homo sapiens | 10 µM | 27.6 | 14.60 | 40.50 | pyrilamine | 1.70 | Cerep_870 |
| H2 (h) | HRH2 | Homo sapiens | 10 µM | -16.1 | -16.80 | -15.40 | cimetidine | 370.00 | Cerep_1208 |
| MC4 (h) | MC4R | Homo sapiens | 10 µM | -8.0 | -7.40 | -8.60 | NDP-alpha-MSH | 0.29 | Cerep_420 |
| MT1 (ML1A) (h) | MTNR1A | Homo sapiens | 10 µM | 15.3 | 23.20 | 7.40 | melatonin | 0.12 | Cerep_1538 |
| M1 (h) | CHRM1 | Homo sapiens | 10 µM | 4.6 | 5.90 | 3.20 | pirenzepine | 30.00 | Cerep_91 |
| M2 (h) | CHRM2 | Homo sapiens | 10 µM | 35.8 | 35.90 | 35.80 | methoctramine | 44.00 | Cerep_93 |
| M3 (h) | CHRM3 | Homo sapiens | 10 µM | 8.0 | 6.80 | 9.10 | 4-DAMP | 1.60 | Cerep_95 |
| M5 (h) | CHRM5 | Homo sapiens | 10 µM | -3.3 | 1.70 | -8.30 | 4-DAMP | 1.00 | Cerep_97 |
| NK2 (h) | TACR2 | Homo sapiens | 10 µM | 46.0 | 42.20 | 49.80 | [Nleu10]-NKA (4-10) | 3.10 | Cerep_102 |
| NK3 (h) | TACR3 | Homo sapiens | 10 µM | -8.7 | -5.70 | -11.70 | SB 222200 | 6.80 | Cerep_104 |
| Y1 (h) | NPY1R | Homo sapiens | 10 µM | -7.5 | -2.90 | -12.10 | NPY | 0.16 | Cerep_106 |
| Y2 (h) | NPY2R | Homo sapiens | 10 µM | 8.0 | 21.50 | -5.50 | NPY | 0.15 | Cerep_107 |
| NTS1 (NT1) (h) | NTSR1 | Homo sapiens | 10 µM | -10.4 | -12.60 | -8.10 | neurotensin | 0.39 | Cerep_109 |
| delta (DOP) (h) | OPRD1 | Homo sapiens | 10 µM | 11.7 | 21.30 | 2.00 | DPDPE | 2.80 | Cerep_114 |
| kappa (h) (KOP) | OPRK1 | Homo sapiens | 10 µM | -12.1 | -10.80 | -13.30 | U50488 | 0.81 | Cerep_4461 |
| mu (MOP) (h) | OPRM1 | Homo sapiens | 10 µM | -8.9 | -7.10 | -10.80 | DAMGO | 1.30 | Cerep_118 |
| NOP (ORL1) (h) | OPRL1 | Homo sapiens | 10 µM | -14.7 | -12.50 | -16.90 | nociceptin | 0.18 | Cerep_358 |
| EP4 (h) | PTGER4 | Homo sapiens | 10 µM | 47.2 | 48.10 | 46.40 | PGE2 | 0.17 | Cerep_441 |
| 5-HT1A (h) | HTR1A | Homo sapiens | 10 µM | -58.9 | -54.00 | -63.80 | 8-OH-DPAT | 0.67 | Cerep_131 |
| 5-HT1B(h) | HTR1B | Homo sapiens | 10 µM | -15.6 | -15.00 | -16.10 | Serotonine | 100.00 | Cerep_4376 |
| 5-HT2A (h) | HTR2A | Homo sapiens | 10 µM | -4.1 | -6.10 | -2.00 | ketanserin | 0.56 | Cerep_135 |
| 5-HT2B (h) | HTR2B | Homo sapiens | 10 µM | -47.1 | -55.50 | -38.70 | (±)DOI | 3.40 | Cerep_1333 |
| 5-HT3 (h) | HTR3A | Homo sapiens | 10 µM | -8.0 | -7.40 | -8.70 | MDL 72222 | 9.10 | Cerep_411 |
| 5-HT5a (h) | HTR5A | Homo sapiens | 10 µM | -20.7 | -19.60 | -21.90 | serotonin | 200.00 | Cerep_140 |
| 5-HT6 (h) | HTR6 | Homo sapiens | 10 µM | 32.0 | 34.60 | 29.50 | serotonin | 220.00 | Cerep_142 |
| 5-HT7 (h) | HTR7 | Homo sapiens | 10 µM | -6.6 | -5.40 | -7.70 | serotonin | 0.58 | Cerep_144 |
| sst (non-selective) | Mus musculus | 10 µM | -21.6 | -24.70 | -18.50 | somatostatin-14 | 0.27 | Cerep_149 | |
| VPAC1 (VIP1) (h) | VIPR1 | Homo sapiens | 10 µM | -3.2 | -1.20 | -5.20 | VIP | 0.77 | Cerep_157 |
| V1 a (h) | AVPR1A | Homo sapiens | 10 µM | 92.3 | 91.90 | 92.70 | [d(CH2)5 1,Tyr(Me)2]-AVP | 1.60 | Cerep_159 |
| Ca2+ channel (L, dihydropyridine site) | Rattus norvegicus | 10 µM | -11.0 | -9.00 | -13.00 | nitrendipine | 0.15 | Cerep_161 | |
| Ca2+ channel (L, diltiazem site) (benzothiazepines) | CACNA1C | Rattus norvegicus | 10 µM | -8.8 | -0.30 | -17.30 | diltiazem | 83.00 | Cerep_162 |
| Ca2+ channel (L, verapamil site) (phenylalkylamine) | Rattus norvegicus | 10 µM | -9.8 | -15.10 | -4.50 | D 600 | 17.00 | Cerep_163 | |
| KV channel | Rattus norvegicus | 10 µM | -5.9 | -13.30 | 1.50 | α-dendrotoxin | 0.25 | Cerep_166 | |
| SKCa channel | Rattus norvegicus | 10 µM | -6.7 | -5.70 | -7.80 | apamin | 0.04 | Cerep_167 | |
| Na+ channel (site 2) | Rattus norvegicus | 10 µM | -4.9 | -2.90 | -7.00 | veratridine | 8700.00 | Old_Cerep_169 | |
| Cl- channel (GABA-gated) | Rattus norvegicus | 10 µM | 59.9 | 59.90 | 59.90 | picrotoxinin | 230.00 | Old_Cerep_16 | |
| norepinephrine transporter (h) | SLC6A2 | Homo sapiens | 10 µM | 30.4 | 28.60 | 32.10 | protriptyline | 3.90 | Cerep_355 |
| dopamine transporter (h) | SLC6A3 | Homo sapiens | 10 µM | 7.8 | 10.40 | 5.30 | BTCP | 8.50 | Cerep_52 |
| 5-HT transporter (h) | SCL6A4 | Homo sapiens | 10 µM | 2.4 | 2.90 | 2.00 | imipramine | 2.70 | Cerep_439 |
MSC-4381
Cellular agonist effect was calculated as a % of control response to a known reference agonist for each target and cellular antagonist effect was calculated as a % inhibition of control reference agonist response for each target. Results showing an inhibition higher than 50 % are considered to represent significant effects of the probe. The results are expressed as a percent of control agonist response: (measured response/ control response ) * 100 or as a percent inhibition of control agonist response 100-((measured response/ control response) * 100).
Conclusion: Clean.
| Target protein | HGNC name | Species | Cmp. conc. | Mean [% of Control Agonist Response] | First measurement | Second measurement | Reference compound name | Reference compound value [nM] | Reference compound type | Assay ID |
|---|---|---|---|---|---|---|---|---|---|---|
| V1a (h) | AVPR1A | Homo sapiens | 10 µM | -3.1 | -3.50 | -2.70 | AVP | 0.24 | EC50 | Cerep_1033 |
| V1a (h) | AVPR1A | Homo sapiens | 10 µM | 34.9 | 33.10 | 36.70 | [d(CH2)5 1,Tyr(Me)2]-AVP | 4.20 | IC50 | Cerep_1034 |