Assay Detail
Binding
CHEMBL4880029
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GPCRScan assay: inhibition of 5-HT2C
213
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 |
Publication
SGC PDSP GPCRScan assays
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Inhibition | 181 | - | - |
| Ki | 32 | 5.86 | 7.70 |
Assay Parameters
| Parameter | Type | Value | Units | Text |
|---|---|---|---|---|
| Parental cells | Parental cells | - | — | HEK T |
| PMID | PMID | - | — | 12738034/10217294 |
| Protein length | Protein length | - | — | full-length |
| Radioligand conc. used [nM] | Radioligand conc. used [nM] | - | — | 1.0 – 2.5 |
| Radioligand Kd | Radioligand Kd | 2.66 | nM | — |
| Radioligand name | Radioligand name | - | — | [3H]-Mesulergine |
| Radioligand pKd | Radioligand pKd | 5.85 | — | — |
| Radioligand pKd ± SEM | Radioligand pKd ± SEM | 0.06 | — | — |
| Reference ligand | Reference ligand | - | — | Ritanserin |
| Reference ligand Ki | Reference ligand Ki | 1.44 | nM | — |
| Reference ligand pKi | Reference ligand pKi | 8.84 | — | — |
| Reference ligand pKi ± SEM | Reference ligand pKi ± SEM | 0.02 | — | — |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4578164 | MRL-CB1-NC | — | 3 | 7.70 |
| CHEMBL4748908 | TP-040n | — | 3 | 6.59 |
| CHEMBL4778870 | TP-040 | — | 3 | 6.44 |
| CHEMBL4558518 | GSI-NC | — | 3 | 6.29 |
| CHEMBL4520788 | BAY-294 | — | 3 | 6.16 |
| CHEMBL4576555 | T3-CLK-N | — | 3 | 5.98 |
| CHEMBL4592872 | BAY-897 | — | 3 | 5.97 |
| CHEMBL1651534 | REDAFAMDASTAT | 2.0 | 3 | 5.78 |
| CHEMBL2180408 | JNJ-42396302 | 1.0 | 3 | 5.70 |
| CHEMBL4535474 | BAY-293 | — | 3 | 5.54 |
| CHEMBL4526351 | BAY-309 | — | 3 | 5.31 |
| CHEMBL3480577 | UCSF924 | — | 3 | 5.26 |
| CHEMBL4521594 | BAY-1797 | — | 3 | 5.23 |
| CHEMBL4522773 | BAY-827 | — | 3 | 5.00 |
| CHEMBL3582478 | MSD-CYP11B2 | — | 3 | 5.00 |
| CHEMBL4564312 | BAY-786 | — | 1 | - |
| CHEMBL4537788 | BAY-784 | — | 1 | - |
| CHEMBL4516843 | BAY-207 | — | 1 | - |
| CHEMBL4539943 | BAY-694 | — | 1 | - |
| CHEMBL4585243 | BAY-7598 | — | 1 | - |
| CHEMBL4593677 | BAY-474 | — | 1 | - |
| CHEMBL4066040 | A-1596584 | — | 1 | - |
| CHEMBL4093612 | A-1596586 | — | 1 | - |
| CHEMBL332794 | A-192621 | — | 1 | - |
| CHEMBL4513786 | A-545 | — | 1 | - |
| CHEMBL111612 | ABT-546 | — | 1 | - |
| CHEMBL4526341 | A-108 | — | 1 | - |
| CHEMBL4586794 | ABT-100 | — | 1 | - |
| CHEMBL3701197 | A-226 | — | 1 | - |
| CHEMBL3697701 | A-079 | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4578164 | MRL-CB1-NC | Ki | = | 19.95 | nM | 7.70 |
| CHEMBL4578164 | MRL-CB1-NC | Ki | = | 22.0 | nM | 7.66 |
| CHEMBL4748908 | TP-040n | Ki | = | 257.04 | nM | 6.59 |
| CHEMBL4748908 | TP-040n | Ki | = | 266.79 | nM | 6.57 |
| CHEMBL4778870 | TP-040 | Ki | = | 363.08 | nM | 6.44 |
| CHEMBL4778870 | TP-040 | Ki | = | 373.79 | nM | 6.43 |
| CHEMBL4558518 | GSI-NC | Ki | = | 516.0 | nM | 6.29 |
| CHEMBL4558518 | GSI-NC | Ki | = | 512.86 | nM | 6.29 |
| CHEMBL4520788 | BAY-294 | Ki | = | 691.83 | nM | 6.16 |
| CHEMBL4520788 | BAY-294 | Ki | = | 706.49 | nM | 6.15 |
| CHEMBL4576555 | T3-CLK-N | Ki | = | 1047.13 | nM | 5.98 |
| CHEMBL4592872 | BAY-897 | Ki | = | 1071.52 | nM | 5.97 |
| CHEMBL4576555 | T3-CLK-N | Ki | = | 1066.46 | nM | 5.97 |
| CHEMBL4592872 | BAY-897 | Ki | = | 1082.93 | nM | 5.96 |
| CHEMBL1651534 | REDAFAMDASTAT | Ki | = | 1659.59 | nM | 5.78 |
| CHEMBL1651534 | REDAFAMDASTAT | Ki | = | 1659.2 | nM | 5.78 |
| CHEMBL2180408 | JNJ-42396302 | Ki | = | 1995.26 | nM | 5.70 |
| CHEMBL2180408 | JNJ-42396302 | Ki | = | 2197.87 | nM | 5.66 |
| CHEMBL4535474 | BAY-293 | Ki | = | 2884.03 | nM | 5.54 |
| CHEMBL4535474 | BAY-293 | Ki | = | 3399.46 | nM | 5.47 |
| CHEMBL4526351 | BAY-309 | Ki | = | 4863.0 | nM | 5.31 |
| CHEMBL4526351 | BAY-309 | Ki | = | 4897.79 | nM | 5.31 |
| CHEMBL3480577 | UCSF924 | Ki | = | 5495.41 | nM | 5.26 |
| CHEMBL3480577 | UCSF924 | Ki | = | 5550.33 | nM | 5.26 |
| CHEMBL4521594 | BAY-1797 | Ki | = | 5888.44 | nM | 5.23 |
| CHEMBL4521594 | BAY-1797 | Ki | = | 6519.91 | nM | 5.19 |
| CHEMBL4522773 | BAY-827 | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL3582478 | MSD-CYP11B2 | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL3582478 | MSD-CYP11B2 | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL4522773 | BAY-827 | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL4514203 | BAY-390 | Inhibition | = | 23.41 | % | - |
| CHEMBL4648362 | GSK789 | Inhibition | = | 14.02 | % | - |
| CHEMBL4536197 | A-486 | Inhibition | = | -3.43 | % | - |
| CHEMBL4798829 | — | Inhibition | = | 20.21 | % | - |
| CHEMBL4545807 | BAY-070 | Inhibition | = | 8.59 | % | - |
| CHEMBL4639128 | GSK778 | Inhibition | = | -0.02 | % | - |
| CHEMBL4637208 | GSK973 | Inhibition | = | 22.16 | % | - |
| CHEMBL4638939 | GSK943 | Inhibition | = | -11.01 | % | - |
| CHEMBL1800285 | MSD-M1PAM | Inhibition | = | 10.49 | % | - |
| CHEMBL4580220 | BAY-3827 | Inhibition | = | 20.02 | % | - |
| CHEMBL2204283 | MSD-M1PAM-NC | Inhibition | = | -2.49 | % | - |
| CHEMBL3286797 | PF-04418948 | Inhibition | = | 12.35 | % | - |
| CHEMBL4552554 | PF-04475866 | Inhibition | = | 30.19 | % | - |
| CHEMBL4530740 | BI 1950 | Inhibition | = | 24.33 | % | - |
| CHEMBL4577237 | BI 9446 | Inhibition | = | 32.93 | % | - |
| CHEMBL3137331 | DEFACTINIB | Inhibition | = | 16.9 | % | - |
| CHEMBL4538591 | BAY-440 | Inhibition | = | 0.02 | % | - |
| CHEMBL4537673 | BAY-985 | Inhibition | = | 11.4 | % | - |
| CHEMBL4534980 | (S)-ZINC-3573 | Inhibition | = | -3.16 | % | - |
| CHEMBL4576555 | T3-CLK-N | Inhibition | = | 82.98 | % | - |