Assay Detail
Binding
CHEMBL4236761
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Inhibition of MPS1 autophosphorylation at Thr33/Ser37 in human HCT116 cells after 2 hrs by MSD assay
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N2-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N8-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722).
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 18 | 7.03 | 8.46 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3890427 | — | — | 1 | 8.46 |
| CHEMBL4249882 | — | — | 1 | 7.64 |
| CHEMBL3932996 | — | — | 1 | 7.52 |
| CHEMBL4247121 | — | — | 1 | 7.48 |
| CHEMBL4245639 | — | — | 1 | 7.43 |
| CHEMBL4239476 | — | — | 1 | 7.43 |
| CHEMBL3911532 | — | — | 1 | 7.36 |
| CHEMBL3924132 | BOS-172722 | 1.0 | 1 | 7.20 |
| CHEMBL3900491 | — | — | 1 | 7.02 |
| CHEMBL4249151 | — | — | 1 | 6.96 |
| CHEMBL3809252 | — | — | 1 | 6.85 |
| CHEMBL3927553 | — | — | 1 | 6.77 |
| CHEMBL3961036 | — | — | 1 | 6.64 |
| CHEMBL4240502 | — | — | 1 | 6.64 |
| CHEMBL4251352 | — | — | 1 | 6.62 |
| CHEMBL4250961 | — | — | 1 | 6.60 |
| CHEMBL4248872 | — | — | 1 | 6.43 |
| CHEMBL4242054 | — | — | 1 | 5.42 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3890427 | — | IC50 | = | 3.5 | nM | 8.46 |
| CHEMBL4249882 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL3932996 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL4247121 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL4245639 | — | IC50 | = | 37.0 | nM | 7.43 |
| CHEMBL4239476 | — | IC50 | = | 37.0 | nM | 7.43 |
| CHEMBL3911532 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL3924132 | BOS-172722 | IC50 | = | 63.0 | nM | 7.20 |
| CHEMBL3900491 | — | IC50 | = | 95.0 | nM | 7.02 |
| CHEMBL4249151 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL3809252 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL3927553 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL3961036 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL4240502 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL4251352 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL4250961 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL4248872 | — | IC50 | = | 370.0 | nM | 6.43 |
| CHEMBL4242054 | — | IC50 | = | 3800.0 | nM | 5.42 |