Assay Detail
Binding
CHEMBL4880067
Review assay metadata, readout intent, target linkage, and publication context from the same page.
GPCRScan assay: inhibition of Sigma 1
253
Total Activities
181
Compounds Tested
2
Activity Types
12
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Sigma non-opioid intracellular receptor 1 (CHEMBL287) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
SGC PDSP GPCRScan assays
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Inhibition | 183 | - | - |
| Ki | 70 | 5.98 | 7.20 |
Assay Parameters
| Parameter | Type | Value | Units | Text |
|---|---|---|---|---|
| Parental cells | Parental cells | - | — | HEKT |
| PMID | PMID | - | — | 28495085/28559337/27042935 |
| Protein length | Protein length | - | — | full-length |
| Radioligand conc. used [nM] | Radioligand conc. used [nM] | - | — | 4.0 – 5.0 |
| Radioligand Kd | Radioligand Kd | 8.32 | nM | — |
| Radioligand name | Radioligand name | - | — | [3H]-Pentazocine |
| Radioligand pKd | Radioligand pKd | 8.08 | — | — |
| Radioligand pKd ± SEM | Radioligand pKd ± SEM | 0.12 | — | — |
| Reference ligand | Reference ligand | - | — | Haloperidol |
| Reference ligand Ki | Reference ligand Ki | 6.77 | nM | — |
| Reference ligand pKi | Reference ligand pKi | 8.14 | — | — |
| Reference ligand pKi ± SEM | Reference ligand pKi ± SEM | 0.04 | — | — |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4802044 | JNJ-73924149 | — | 3 | 7.20 |
| CHEMBL4526341 | A-108 | — | 3 | 7.04 |
| CHEMBL4748908 | TP-040n | — | 3 | 6.91 |
| CHEMBL3342332 | A-1155463 | — | 3 | 6.87 |
| CHEMBL4558518 | GSI-NC | — | 3 | 6.65 |
| CHEMBL3337895 | T-26f | — | 3 | 6.58 |
| CHEMBL4513786 | A-545 | — | 3 | 6.53 |
| CHEMBL4093612 | A-1596586 | — | 3 | 6.50 |
| CHEMBL5306285 | — | — | 3 | 6.39 |
| CHEMBL3697701 | A-079 | — | 3 | 6.34 |
| CHEMBL1651534 | REDAFAMDASTAT | 2.0 | 3 | 6.33 |
| CHEMBL3701197 | A-226 | — | 3 | 6.30 |
| CHEMBL4576555 | T3-CLK-N | — | 3 | 6.13 |
| CHEMBL204232 | NAPHTHYRIDINONE | — | 3 | 5.94 |
| CHEMBL4566600 | PPTN-NC | — | 3 | 5.93 |
| CHEMBL4798829 | — | — | 3 | 5.93 |
| CHEMBL1800685 | PPTN | — | 3 | 5.93 |
| CHEMBL4545807 | BAY-070 | — | 3 | 5.89 |
| CHEMBL5082184 | — | — | 3 | 5.87 |
| CHEMBL4458424 | BAY-899 | — | 3 | 5.84 |
| CHEMBL4560589 | MLi-2-NC | — | 3 | 5.80 |
| CHEMBL4584981 | NVS-MALT1-C | — | 3 | 5.80 |
| CHEMBL4638406 | BAY-3153 | — | 3 | 5.74 |
| CHEMBL4455582 | BAY-693 | — | 3 | 5.63 |
| CHEMBL4592872 | BAY-897 | — | 3 | 5.62 |
| CHEMBL4445670 | BAY-885 | — | 3 | 5.60 |
| CHEMBL4066040 | A-1596584 | — | 3 | 5.56 |
| CHEMBL5086970 | — | — | 3 | 5.54 |
| CHEMBL4802042 | JNJ-54119936 | — | 3 | 5.52 |
| CHEMBL4802050 | 8RK64 | — | 3 | 5.47 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4802044 | JNJ-73924149 | Ki | = | 63.33 | nM | 7.20 |
| CHEMBL4802044 | JNJ-73924149 | Ki | = | 63.1 | nM | 7.20 |
| CHEMBL4526341 | A-108 | Ki | = | 91.2 | nM | 7.04 |
| CHEMBL4526341 | A-108 | Ki | = | 91.64 | nM | 7.04 |
| CHEMBL4748908 | TP-040n | Ki | = | 123.03 | nM | 6.91 |
| CHEMBL4748908 | TP-040n | Ki | = | 125.1 | nM | 6.90 |
| CHEMBL3342332 | A-1155463 | Ki | = | 136.4 | nM | 6.87 |
| CHEMBL3342332 | A-1155463 | Ki | = | 134.9 | nM | 6.87 |
| CHEMBL4558518 | GSI-NC | Ki | = | 223.0 | nM | 6.65 |
| CHEMBL4558518 | GSI-NC | Ki | = | 223.87 | nM | 6.65 |
| CHEMBL3337895 | T-26f | Ki | = | 263.0 | nM | 6.58 |
| CHEMBL3337895 | T-26f | Ki | = | 263.03 | nM | 6.58 |
| CHEMBL4513786 | A-545 | Ki | = | 298.0 | nM | 6.53 |
| CHEMBL4513786 | A-545 | Ki | = | 295.12 | nM | 6.53 |
| CHEMBL4093612 | A-1596586 | Ki | = | 314.63 | nM | 6.50 |
| CHEMBL4093612 | A-1596586 | Ki | = | 316.23 | nM | 6.50 |
| CHEMBL5306285 | — | Ki | = | 407.38 | nM | 6.39 |
| CHEMBL5306285 | — | Ki | = | 416.9 | nM | 6.38 |
| CHEMBL3697701 | A-079 | Ki | = | 457.09 | nM | 6.34 |
| CHEMBL1651534 | REDAFAMDASTAT | Ki | = | 467.74 | nM | 6.33 |
| CHEMBL1651534 | REDAFAMDASTAT | Ki | = | 472.06 | nM | 6.33 |
| CHEMBL3697701 | A-079 | Ki | = | 505.48 | nM | 6.30 |
| CHEMBL3701197 | A-226 | Ki | = | 501.19 | nM | 6.30 |
| CHEMBL3701197 | A-226 | Ki | = | 528.76 | nM | 6.28 |
| CHEMBL4576555 | T3-CLK-N | Ki | = | 741.31 | nM | 6.13 |
| CHEMBL4576555 | T3-CLK-N | Ki | = | 798.34 | nM | 6.10 |
| CHEMBL204232 | NAPHTHYRIDINONE | Ki | = | 1158.0 | nM | 5.94 |
| CHEMBL1800685 | PPTN | Ki | = | 1180.59 | nM | 5.93 |
| CHEMBL1800685 | PPTN | Ki | = | 1174.9 | nM | 5.93 |
| CHEMBL4798829 | — | Ki | = | 1179.84 | nM | 5.93 |
| CHEMBL4798829 | — | Ki | = | 1174.9 | nM | 5.93 |
| CHEMBL4566600 | PPTN-NC | Ki | = | 1168.69 | nM | 5.93 |
| CHEMBL4566600 | PPTN-NC | Ki | = | 1174.9 | nM | 5.93 |
| CHEMBL204232 | NAPHTHYRIDINONE | Ki | = | 1258.93 | nM | 5.90 |
| CHEMBL4545807 | BAY-070 | Ki | = | 1286.44 | nM | 5.89 |
| CHEMBL4545807 | BAY-070 | Ki | = | 1288.25 | nM | 5.89 |
| CHEMBL5082184 | — | Ki | = | 1340.29 | nM | 5.87 |
| CHEMBL5082184 | — | Ki | = | 1348.96 | nM | 5.87 |
| CHEMBL4458424 | BAY-899 | Ki | = | 1445.44 | nM | 5.84 |
| CHEMBL4458424 | BAY-899 | Ki | = | 1431.53 | nM | 5.84 |
| CHEMBL4560589 | MLi-2-NC | Ki | = | 1593.68 | nM | 5.80 |
| CHEMBL4584981 | NVS-MALT1-C | Ki | = | 1593.68 | nM | 5.80 |
| CHEMBL4584981 | NVS-MALT1-C | Ki | = | 1584.89 | nM | 5.80 |
| CHEMBL4560589 | MLi-2-NC | Ki | = | 1584.89 | nM | 5.80 |
| CHEMBL4638406 | BAY-3153 | Ki | = | 1828.52 | nM | 5.74 |
| CHEMBL4638406 | BAY-3153 | Ki | = | 1819.7 | nM | 5.74 |
| CHEMBL4455582 | BAY-693 | Ki | = | 2344.23 | nM | 5.63 |
| CHEMBL4455582 | BAY-693 | Ki | = | 2368.65 | nM | 5.62 |
| CHEMBL4592872 | BAY-897 | Ki | = | 2398.83 | nM | 5.62 |
| CHEMBL4592872 | BAY-897 | Ki | = | 2398.28 | nM | 5.62 |