Assay Detail
Binding
CHEMBL5739277
Review assay metadata, readout intent, target linkage, and publication context from the same page.
CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested in kinase assays by Nanosyn (Santa Clara, Calif.) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Specifics of each assay are as described below:CDK1/Cyclin B1: Enzyme concentration: 0.08 nM; ATP concentration: 40 μM; Incubation time: 3 hr. CDK2/Cyclin A: Enzyme concentration: 0.1 nM; ATP concentration: 50 μM; Incubation time: 3 hr. CDK2/Cyclin E: Enzyme concentration: 0.15 nM; ATP concentration: 100 μM; Incubation time: 3 hr. CDK4/Cyclin D1: Enzyme concentration: 1 nM; ATP concentration: 200 μM; Incubation time: 3 hr. CDK6/Cyclin D3: Enzyme concentration: 2 nM; ATP concentration: 300 μM; Incubation time: 3 hr. CDK9/Cyclin T1: Enzyme concentration: 5 nM; ATP concentration: 10 μM; Incubation time: 17 hr.
93
Total Activities
31
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 7 — Homologous single protein target |
| Curated By | Autocuration |
Target
Cyclin-dependent kinase 2/cyclin E1 (CHEMBL1907605) ↗| Type | PROTEIN COMPLEX |
| Organism | Homo sapiens |
Publication
Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 8.29 | 9.47 |
| kon | 31 | - | - |
| k_off | 31 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5808524 | — | — | 3 | 9.47 |
| CHEMBL5837976 | — | — | 3 | 9.30 |
| CHEMBL5834528 | INX-315 | 1.0 | 3 | 9.25 |
| CHEMBL5747791 | — | — | 3 | 9.00 |
| CHEMBL5739950 | — | — | 3 | 9.00 |
| CHEMBL5992870 | — | — | 3 | 9.00 |
| CHEMBL5776705 | — | — | 3 | 9.00 |
| CHEMBL5938366 | — | — | 3 | 9.00 |
| CHEMBL5943225 | — | — | 3 | 8.70 |
| CHEMBL5797283 | — | — | 3 | 8.57 |
| CHEMBL5805868 | — | — | 3 | 8.52 |
| CHEMBL5923240 | — | — | 3 | 8.52 |
| CHEMBL6021151 | — | — | 3 | 8.52 |
| CHEMBL5778396 | — | — | 3 | 8.40 |
| CHEMBL5945627 | — | — | 3 | 8.40 |
| CHEMBL5838972 | — | — | 3 | 8.40 |
| CHEMBL5932925 | — | — | 3 | 8.40 |
| CHEMBL5812991 | — | — | 3 | 8.35 |
| CHEMBL5845618 | — | — | 3 | 8.32 |
| CHEMBL5892074 | — | — | 3 | 8.30 |
| CHEMBL5980280 | — | — | 3 | 8.30 |
| CHEMBL5981230 | — | — | 3 | 8.10 |
| CHEMBL6065800 | — | — | 3 | 8.00 |
| CHEMBL5932479 | — | — | 3 | 7.89 |
| CHEMBL6036030 | — | — | 3 | 7.85 |
| CHEMBL5781070 | — | — | 3 | 7.72 |
| CHEMBL5875150 | — | — | 3 | 7.64 |
| CHEMBL5816556 | — | — | 3 | 7.48 |
| CHEMBL5934253 | — | — | 3 | 6.68 |
| CHEMBL6000621 | — | — | 3 | 6.54 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5808524 | — | IC50 | = | 0.34 | nM | 9.47 |
| CHEMBL5837976 | — | IC50 | = | 0.5 | nM | 9.30 |
| CHEMBL5834528 | INX-315 | IC50 | = | 0.56 | nM | 9.25 |
| CHEMBL5739950 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5992870 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5938366 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5747791 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5776705 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5943225 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL5797283 | — | IC50 | = | 2.7 | nM | 8.57 |
| CHEMBL5923240 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL6021151 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL5805868 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL5945627 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL5932925 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL5778396 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL5838972 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL5812991 | — | IC50 | = | 4.5 | nM | 8.35 |
| CHEMBL5845618 | — | IC50 | = | 4.8 | nM | 8.32 |
| CHEMBL5892074 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL5980280 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL5981230 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL6065800 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL5932479 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL6036030 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL5781070 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL5875150 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL5816556 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL5934253 | — | IC50 | = | 207.0 | nM | 6.68 |
| CHEMBL6000621 | — | IC50 | = | 287.0 | nM | 6.54 |
| CHEMBL5758346 | — | IC50 | = | 349.0 | nM | 6.46 |
| CHEMBL5758346 | — | k_off | = | - | s-1 | - |
| CHEMBL5923240 | — | kon | = | - | — | - |
| CHEMBL6036030 | — | kon | = | - | — | - |
| CHEMBL5981230 | — | kon | = | - | — | - |
| CHEMBL5981230 | — | k_off | = | - | s-1 | - |
| CHEMBL5892074 | — | kon | = | - | — | - |
| CHEMBL5892074 | — | k_off | = | - | s-1 | - |
| CHEMBL5934253 | — | kon | = | - | — | - |
| CHEMBL5934253 | — | k_off | = | - | s-1 | - |
| CHEMBL6000621 | — | kon | = | - | — | - |
| CHEMBL6000621 | — | k_off | = | - | s-1 | - |
| CHEMBL5923240 | — | k_off | = | - | s-1 | - |
| CHEMBL5875150 | — | k_off | = | - | s-1 | - |
| CHEMBL5838972 | — | k_off | = | - | s-1 | - |
| CHEMBL5739950 | — | kon | = | - | — | - |
| CHEMBL5739950 | — | k_off | = | - | s-1 | - |
| CHEMBL5838972 | — | kon | = | - | — | - |
| CHEMBL5805868 | — | kon | = | - | — | - |
| CHEMBL5805868 | — | k_off | = | - | s-1 | - |