Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50169487
Substrate
n/a
Meas. Tech.
ChEMBL_306593 (CHEMBL832940)
IC50
810.0±n/a nM
Citation
Barrett, DG; Boncek, VM; Catalano, JG; Deaton, DN; Hassell, AM; Jurgensen, CH; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Payne, JA; Ray, JA; Samano, V; Shewchuk, LM; Tavares, FX; Wells-Knecht, KJ; Willard, DH; Wright, LL; Zhou, HQ P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett 15:3540-6 (2005) [PubMed] Article
More Info.:
Target
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:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Inhibitor
Name:
BDBM50169487
Synonyms:
CHEMBL426617 | [(S)-1-((S)-2-Oxo-piperidin-3-ylaminooxalyl)-pentyl]-carbamic acid 1-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-2,2-dimethyl-propyl ester
Type:
Small organic molecule
Emp. Form.:
C27H36FN5O6
Mol. Mass.:
545.603
SMILES:
CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O