Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50139480
Substrate
n/a
Meas. Tech.
ChEBML_45550
IC50
3400±n/a nM
Citation
Catalano, JG; Deaton, DN; Long, ST; McFadyen, RB; Miller, LR; Payne, JA; Wells-Knecht, KJ; Wright, LL Design of small molecule ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett 14:719-22 (2004) [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:
BDBM50139480
Synonyms:
(S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylamino)heptan-3-ylcarbamate | CHEMBL439649 | [(S)-1-(Thiophen-2-ylmethyl)-aminooxalyl]-pentyl)-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C17H26N2O4S
Mol. Mass.:
354.464
SMILES:
CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1cccs1