Assay Detail
Binding
CHEMBL1043647
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Receptor occupancy of VLA4 in whole blood washed with buffer containing non activating Ca2+ and Mg2+ at 37 degC after 3 hrs
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Tissue | Blood |
| Confidence | 6 — Multiple protein complex / RNA |
| Curated By | Autocuration |
Publication
Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(l)-prolyl}-4-[(3',5'-dichloro-isonicotinoyl) amino]-(l)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 14 | 7.18 | 7.43 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL569444 | — | — | 1 | 7.43 |
| CHEMBL565499 | — | — | 1 | 7.26 |
| CHEMBL569403 | — | — | 1 | 7.25 |
| CHEMBL571805 | — | — | 1 | 7.22 |
| CHEMBL506044 | — | — | 1 | 7.19 |
| CHEMBL569407 | — | — | 1 | 7.19 |
| CHEMBL569255 | — | — | 1 | 7.19 |
| CHEMBL567433 | — | — | 1 | 7.16 |
| CHEMBL569302 | — | — | 1 | 7.12 |
| CHEMBL569442 | — | — | 1 | 7.10 |
| CHEMBL569276 | — | — | 1 | 7.10 |
| CHEMBL569263 | — | — | 1 | 7.10 |
| CHEMBL569443 | — | — | 1 | 7.09 |
| CHEMBL566154 | — | — | 1 | 7.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL569444 | — | IC50 | = | 37.0 | nM | 7.43 |
| CHEMBL565499 | — | IC50 | = | 55.0 | nM | 7.26 |
| CHEMBL569403 | — | IC50 | = | 56.0 | nM | 7.25 |
| CHEMBL571805 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL506044 | — | IC50 | = | 64.0 | nM | 7.19 |
| CHEMBL569407 | — | IC50 | = | 65.0 | nM | 7.19 |
| CHEMBL569255 | — | IC50 | = | 65.0 | nM | 7.19 |
| CHEMBL567433 | — | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL569302 | — | IC50 | = | 75.0 | nM | 7.12 |
| CHEMBL569442 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL569276 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL569263 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL569443 | — | IC50 | = | 81.0 | nM | 7.09 |
| CHEMBL566154 | — | IC50 | = | 90.0 | nM | 7.05 |