Assay Detail
Binding
CHEMBL839961
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Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand
43
Total Activities
43
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Saccharomyces cerevisiae |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
C-8 sterol isomerase ERG2 (CHEMBL3224) ↗| Type | SINGLE PROTEIN |
| Organism | Saccharomyces cerevisiae S288c |
Publication
Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 43 | 7.16 | 10.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL372700 | FENPROPIMORPH | — | 1 | 10.30 |
| CHEMBL365842 | — | — | 1 | 10.05 |
| CHEMBL15023 | TRIFLUPERIDOL | 2.0 | 1 | 9.82 |
| CHEMBL365141 | — | — | 1 | 9.70 |
| CHEMBL17470 | — | — | 1 | 9.40 |
| CHEMBL54 | HALOPERIDOL | 4.0 | 1 | 9.30 |
| CHEMBL190631 | — | — | 1 | 9.15 |
| CHEMBL113830 | (S,R)-IFENPRODIL | — | 1 | 9.00 |
| CHEMBL167779 | ZUCLOMIPHENE | 2.0 | 1 | 8.70 |
| CHEMBL187709 | TRIPARANOL | 4.0 | 1 | 8.70 |
| CHEMBL62540 | — | — | 1 | 8.30 |
| CHEMBL188476 | — | — | 1 | 8.05 |
| CHEMBL363884 | RONIPAMIL | 2.0 | 1 | 7.89 |
| CHEMBL370753 | OPIPRAMOL | 3.0 | 1 | 7.77 |
| CHEMBL633 | AMIODARONE | 4.0 | 1 | 7.21 |
| CHEMBL361085 | — | — | 1 | 7.19 |
| CHEMBL187615 | — | — | 1 | 7.19 |
| CHEMBL81 | RALOXIFENE | 4.0 | 1 | 7.18 |
| CHEMBL187829 | LEVEMOPAMIL | 2.0 | 1 | 7.13 |
| CHEMBL954 | ENCLOMIPHENE | 3.0 | 1 | 6.80 |
| CHEMBL363765 | — | — | 1 | 6.77 |
| CHEMBL365722 | — | — | 1 | 6.77 |
| CHEMBL28211 | NAFOXIDINE | 2.0 | 1 | 6.63 |
| CHEMBL186779 | JERVINE | — | 1 | 6.55 |
| CHEMBL626 | NAFTIFINE | 4.0 | 1 | 6.51 |
| CHEMBL365417 | — | — | 1 | 6.41 |
| CHEMBL366154 | — | — | 1 | 6.30 |
| CHEMBL422 | TRIFLUOPERAZINE | 4.0 | 1 | 6.30 |
| CHEMBL305593 | — | — | 1 | 6.00 |
| CHEMBL372484 | — | — | 1 | 5.93 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL372700 | FENPROPIMORPH | Ki | = | 0.05 | nM | 10.30 |
| CHEMBL365842 | — | Ki | = | 0.09 | nM | 10.05 |
| CHEMBL15023 | TRIFLUPERIDOL | Ki | = | 0.15 | nM | 9.82 |
| CHEMBL365141 | — | Ki | = | 0.2 | nM | 9.70 |
| CHEMBL17470 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL54 | HALOPERIDOL | Ki | = | 0.5 | nM | 9.30 |
| CHEMBL190631 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL113830 | (S,R)-IFENPRODIL | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL167779 | ZUCLOMIPHENE | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL187709 | TRIPARANOL | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL62540 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL188476 | — | Ki | = | 9.0 | nM | 8.05 |
| CHEMBL363884 | RONIPAMIL | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL370753 | OPIPRAMOL | Ki | = | 17.0 | nM | 7.77 |
| CHEMBL633 | AMIODARONE | Ki | = | 62.0 | nM | 7.21 |
| CHEMBL361085 | — | Ki | = | 65.0 | nM | 7.19 |
| CHEMBL187615 | — | Ki | = | 65.0 | nM | 7.19 |
| CHEMBL81 | RALOXIFENE | Ki | = | 66.0 | nM | 7.18 |
| CHEMBL187829 | LEVEMOPAMIL | Ki | = | 74.0 | nM | 7.13 |
| CHEMBL954 | ENCLOMIPHENE | Ki | = | 160.0 | nM | 6.80 |
| CHEMBL365722 | — | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL363765 | — | Ki | = | 169.0 | nM | 6.77 |
| CHEMBL28211 | NAFOXIDINE | Ki | = | 232.0 | nM | 6.63 |
| CHEMBL186779 | JERVINE | Ki | = | 284.0 | nM | 6.55 |
| CHEMBL626 | NAFTIFINE | Ki | = | 310.0 | nM | 6.51 |
| CHEMBL365417 | — | Ki | = | 387.0 | nM | 6.41 |
| CHEMBL366154 | — | Ki | = | 500.0 | nM | 6.30 |
| CHEMBL422 | TRIFLUOPERAZINE | Ki | = | 500.0 | nM | 6.30 |
| CHEMBL305593 | — | Ki | = | 1000.0 | nM | 6.00 |
| CHEMBL372484 | — | Ki | = | 1170.0 | nM | 5.93 |
| CHEMBL7393 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL83 | TAMOXIFEN | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL282433 | DITOLYLGUANIDINE | Ki | = | 2000.0 | nM | 5.70 |
| CHEMBL188044 | — | Ki | = | 2800.0 | nM | 5.55 |
| CHEMBL103 | PROGESTERONE | Ki | = | 4430.0 | nM | 5.35 |
| CHEMBL2368401 | (7S,8R)-6-ALLYLAMINO-7,8-DIMETHYL-8-PROPYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-OL | Ki | = | 4700.0 | nM | 5.33 |
| CHEMBL188921 | BUFLOMEDIL | Ki | = | 7150.0 | nM | 5.15 |
| CHEMBL386630 | TESTOSTERONE | Ki | = | 7760.0 | nM | 5.11 |
| CHEMBL189871 | — | Ki | = | 16480.0 | nM | 4.78 |
| CHEMBL345754 | — | Ki | = | 31700.0 | nM | 4.50 |
| CHEMBL822 | TERBINAFINE | Ki | > | 50000.0 | nM | - |
| CHEMBL110739 | CORTICOSTERONE | Ki | > | 100000.0 | nM | - |
| CHEMBL363703 | — | Ki | > | 100000.0 | nM | - |