Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50169768
Substrate
n/a
Meas. Tech.
ChEMBL_306541 (CHEMBL827830)
IC50
13000±n/a nM
Citation
Tavares, FX; Deaton, DN; Miller, AB; Miller, LR; Wright, LL Ketoheterocycle-based inhibitors of cathepsin K: a novel entry into the synthesis of peptidic ketoheterocycles. Bioorg Med Chem Lett 15:3891-5 (2005) [PubMed] Article
More Info.:
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Homo sapiens (Human)
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
Inhibitor
Name:
BDBM50169768
Synonyms:
2-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-hexanoyl]-thiazole-4-carboxylic acid ethyl ester | CHEMBL434132
Type:
Small organic molecule
Emp. Form.:
C26H35N3O6S
Mol. Mass.:
517.638
SMILES:
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nc(cs1)C(=O)OCC