Assay Detail
Binding
CHEMBL646945
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Inhibition of angiotensin I converting enzyme in silico
30
Total Activities
30
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Validation of EGSITE2, a mixed integer program for deducing objective site models for experimental binding data.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 30 | 7.65 | 9.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL110925 | — | — | 1 | 9.10 |
| CHEMBL322266 | — | — | 1 | 8.70 |
| CHEMBL326902 | — | — | 1 | 8.50 |
| CHEMBL105971 | — | — | 1 | 8.50 |
| CHEMBL105890 | — | — | 1 | 8.40 |
| CHEMBL577 | ENALAPRILAT ANHYDROUS | 4.0 | 1 | 8.40 |
| CHEMBL41289 | — | — | 1 | 8.30 |
| CHEMBL110870 | — | — | 1 | 8.30 |
| CHEMBL108606 | — | — | 1 | 8.10 |
| CHEMBL107700 | — | — | 1 | 8.00 |
| CHEMBL80906 | — | — | 1 | 8.00 |
| CHEMBL110439 | — | — | 1 | 8.00 |
| CHEMBL10465 | — | — | 1 | 8.00 |
| CHEMBL23849 | — | — | 1 | 7.90 |
| CHEMBL108988 | — | — | 1 | 7.90 |
| CHEMBL110444 | — | — | 1 | 7.70 |
| CHEMBL62955 | — | — | 1 | 7.60 |
| CHEMBL110375 | — | — | 1 | 7.50 |
| CHEMBL107635 | — | — | 1 | 7.50 |
| CHEMBL109178 | — | — | 1 | 7.40 |
| CHEMBL111578 | — | — | 1 | 7.20 |
| CHEMBL1560 | CAPTOPRIL | 4.0 | 1 | 7.10 |
| CHEMBL325544 | — | — | 1 | 6.90 |
| CHEMBL321012 | — | — | 1 | 6.90 |
| CHEMBL106193 | — | — | 1 | 6.80 |
| CHEMBL10247 | THIORPHAN | -1.0 | 1 | 6.50 |
| CHEMBL322291 | — | — | 1 | 5.60 |
| CHEMBL105790 | — | — | 1 | 5.50 |
| CHEMBL38405 | — | — | 1 | - |
| CHEMBL323051 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL110925 | — | IC50 | = | 0.7943 | nM | 9.10 |
| CHEMBL322266 | — | IC50 | = | 1.995 | nM | 8.70 |
| CHEMBL326902 | — | IC50 | = | 3.162 | nM | 8.50 |
| CHEMBL105971 | — | IC50 | = | 3.162 | nM | 8.50 |
| CHEMBL105890 | — | IC50 | = | 3.981 | nM | 8.40 |
| CHEMBL577 | ENALAPRILAT ANHYDROUS | IC50 | = | 3.981 | nM | 8.40 |
| CHEMBL41289 | — | IC50 | = | 5.012 | nM | 8.30 |
| CHEMBL110870 | — | IC50 | = | 5.012 | nM | 8.30 |
| CHEMBL108606 | — | IC50 | = | 7.943 | nM | 8.10 |
| CHEMBL107700 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL80906 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL110439 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL10465 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL23849 | — | IC50 | = | 12.59 | nM | 7.90 |
| CHEMBL108988 | — | IC50 | = | 12.59 | nM | 7.90 |
| CHEMBL110444 | — | IC50 | = | 19.95 | nM | 7.70 |
| CHEMBL62955 | — | IC50 | = | 25.12 | nM | 7.60 |
| CHEMBL110375 | — | IC50 | = | 31.62 | nM | 7.50 |
| CHEMBL107635 | — | IC50 | = | 31.62 | nM | 7.50 |
| CHEMBL109178 | — | IC50 | = | 39.81 | nM | 7.40 |
| CHEMBL111578 | — | IC50 | = | 63.1 | nM | 7.20 |
| CHEMBL1560 | CAPTOPRIL | IC50 | = | 79.43 | nM | 7.10 |
| CHEMBL325544 | — | IC50 | = | 125.89 | nM | 6.90 |
| CHEMBL321012 | — | IC50 | = | 125.89 | nM | 6.90 |
| CHEMBL106193 | — | IC50 | = | 158.49 | nM | 6.80 |
| CHEMBL10247 | THIORPHAN | IC50 | = | 316.23 | nM | 6.50 |
| CHEMBL322291 | — | IC50 | = | 2511.89 | nM | 5.60 |
| CHEMBL105790 | — | IC50 | = | 3162.28 | nM | 5.50 |
| CHEMBL38405 | — | IC50 | = | 1000000000.0 | nM | - |
| CHEMBL323051 | — | IC50 | = | 1000000000.0 | nM | - |