Assay Detail
Binding
CHEMBL1676754
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109
20
Total Activities
10
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
X-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Activity | 10 | - | - |
| IC50 | 10 | 5.23 | 6.32 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL64718 | FLUORO-NEPLANOCIN A | — | 2 | 6.32 |
| CHEMBL8771 | NEOPLANOCIN A | — | 2 | 6.06 |
| CHEMBL299961 | — | — | 2 | 5.23 |
| CHEMBL63311 | — | — | 2 | 5.12 |
| CHEMBL1672008 | — | — | 2 | 4.44 |
| CHEMBL1672009 | — | — | 2 | 4.22 |
| CHEMBL1672012 | — | — | 2 | - |
| CHEMBL1672010 | — | — | 2 | - |
| CHEMBL1672011 | — | — | 2 | - |
| CHEMBL1672013 | — | — | 2 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL64718 | FLUORO-NEPLANOCIN A | IC50 | = | 480.0 | nM | 6.32 |
| CHEMBL8771 | NEOPLANOCIN A | IC50 | = | 870.0 | nM | 6.06 |
| CHEMBL299961 | — | IC50 | = | 5830.0 | nM | 5.23 |
| CHEMBL63311 | — | IC50 | = | 7670.0 | nM | 5.12 |
| CHEMBL1672008 | — | IC50 | = | 36460.0 | nM | 4.44 |
| CHEMBL1672009 | — | IC50 | = | 60170.0 | nM | 4.22 |
| CHEMBL1672010 | — | IC50 | > | 1000000.0 | nM | - |
| CHEMBL1672011 | — | IC50 | > | 1000000.0 | nM | - |
| CHEMBL1672012 | — | IC50 | > | 1000000.0 | nM | - |
| CHEMBL1672013 | — | IC50 | > | 1000000.0 | nM | - |
| CHEMBL8771 | NEOPLANOCIN A | Activity | - | — | - | |
| CHEMBL64718 | FLUORO-NEPLANOCIN A | Activity | - | — | - | |
| CHEMBL1672008 | — | Activity | - | — | - | |
| CHEMBL1672009 | — | Activity | - | — | - | |
| CHEMBL1672010 | — | Activity | - | — | - | |
| CHEMBL299961 | — | Activity | - | — | - | |
| CHEMBL63311 | — | Activity | - | — | - | |
| CHEMBL1672011 | — | Activity | - | — | - | |
| CHEMBL1672012 | — | Activity | - | — | - | |
| CHEMBL1672013 | — | Activity | - | — | - |