Assay Detail
ADMET
CHEMBL4144851
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Inhibition of recombinant human CYP2D6 expressed in insect microsomes using AMMC as substrate preincubated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay
17
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Subcellular | Microsomes |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 6.47 | 7.23 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4161528 | — | — | 1 | 7.23 |
| CHEMBL4161850 | — | — | 1 | 7.09 |
| CHEMBL4164075 | — | — | 1 | 7.06 |
| CHEMBL4169450 | — | — | 1 | 6.96 |
| CHEMBL4175500 | — | — | 1 | 6.85 |
| CHEMBL4167521 | — | — | 1 | 6.75 |
| CHEMBL4174727 | — | — | 1 | 6.72 |
| CHEMBL4163770 | — | — | 2 | 6.57 |
| CHEMBL4096305 | — | — | 1 | 6.48 |
| CHEMBL4160401 | — | — | 1 | 6.33 |
| CHEMBL4086147 | — | — | 1 | 6.29 |
| CHEMBL4164874 | — | — | 1 | 6.27 |
| CHEMBL4171643 | — | — | 1 | 6.12 |
| CHEMBL4175088 | — | — | 1 | 5.60 |
| CHEMBL4167221 | — | — | 1 | 4.92 |
| CHEMBL4159607 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4161528 | — | IC50 | = | 59.0 | nM | 7.23 |
| CHEMBL4161850 | — | IC50 | = | 81.0 | nM | 7.09 |
| CHEMBL4164075 | — | IC50 | = | 88.0 | nM | 7.06 |
| CHEMBL4169450 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL4175500 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL4167521 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL4174727 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL4163770 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL4096305 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL4160401 | — | IC50 | = | 470.0 | nM | 6.33 |
| CHEMBL4086147 | — | IC50 | = | 510.0 | nM | 6.29 |
| CHEMBL4164874 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL4163770 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL4171643 | — | IC50 | = | 760.0 | nM | 6.12 |
| CHEMBL4175088 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL4167221 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL4159607 | — | IC50 | < | 27.0 | nM | - |