Table 3. . Target sets with sdMMP- and isdMMP-cliffs.
| ChEMBL ID | Target name | Number of ACs | |
|---|---|---|---|
| sdMMP-cliffs | isdMMP-cliffs | ||
| 2035 | Muscarinic acetylcholine receptor M5 | 16 | 96 |
| 216 | Muscarinic acetylcholine receptor M1 | 25 | 67 |
| 217 | Dopamine D2 receptor | 1444 | 66 |
| 1821 | Muscarinic acetylcholine receptor M4 | 11 | 23 |
| 210 | β-2 adrenergic receptor | 33 | 21 |
| 1889 | Vasopressin V1a receptor | 60 | 18 |
| 3869 | Matrix metalloproteinase 14 | 13 | 11 |
| 234 | Dopamine D3 receptor | 1145 | 5 |
| 2288 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 20 | 5 |
| 2954 | Cathepsin S | 108 | 4 |
| 4018 | Neuropeptide Y receptor type 2 | 10 | 4 |
| 2971 | Tyrosine-protein kinase JAK2 | 19 | 3 |
| 1947 | Thyroid hormone receptor β-1 | 15 | 3 |
| 242 | Estrogen receptor-β | 16 | 3 |
| 206 | Estrogen receptor-α | 15 | 2 |
| 2487 | β-amyloid A4 protein | 8 | 2 |
| 214 | Serotonin 1a (5-HT1a) receptor | 324 | 2 |
| 237 | κ-opioid receptor | 750 | 2 |
| 5113 | Orexin receptor 1 | 368 | 1 |
| 3837 | Cathepsin L | 118 | 1 |
| 1871 | Androgen receptor | 60 | 1 |
| Sum | 21 | 4578 | 340 |
The table reports the number of sdMMP- and isdMMP-cliffs for each of 21 target sets. ChEMBL target IDs and target names are given.
AC: Activity cliff; isdMMP-cliff: Target set-dependent MMP-cliff with inactive analog; sd-MMP-cliff: Target set-dependent MMP-cliff.