| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cathepsin S |
|---|
| Ligand | BDBM50263554 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_535680 (CHEMBL988834) |
|---|
| IC50 | 4±n/a nM |
|---|
| Citation |  Irie, O; Kosaka, T; Kishida, M; Sakaki, J; Masuya, K; Konishi, K; Yokokawa, F; Ehara, T; Iwasaki, A; Iwaki, Y; Hitomi, Y; Toyao, A; Gunji, H; Teno, N; Iwasaki, G; Hirao, H; Kanazawa, T; Tanabe, K; Hiestand, PC; Malcangio, M; Fox, AJ; Bevan, SJ; Yaqoob, M; Culshaw, AJ; Hart, TW; Hallett, A Overcoming hERG issues for brain-penetrating cathepsin S inhibitors: 2-cyanopyrimidines. Part 2. Bioorg Med Chem Lett18:5280-4 (2008) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cathepsin S |
|---|
| Name: | Cathepsin S |
|---|
| Synonyms: | CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 37507.38 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P25774 |
|---|
| Residue: | 331 |
|---|
| Sequence: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
|
|
|
|---|
| BDBM50263554 |
|---|
| n/a |
|---|
| Name | BDBM50263554 |
|---|
| Synonyms: | 2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)ethoxy)-6-(spiro[3.5]nonan-7-ylmethylamino)pyrimidine-5-carboxamide | CHEMBL478011 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H38N6O2 |
|---|
| Mol. Mass. | 454.6082 |
|---|
| SMILES | CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N |
|---|
| Structure | 
|
|---|
Search and Browse
