Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19897
Substrate
BDBM19480
Meas. Tech.
Enzyme Inhibition Assay
IC50
87±n/a nM
Citation
Robichaud, J; Oballa, R; Prasit, P; Falgueyret, JP; Percival, MD; Wesolowski, G; Rodan, SB; Kimmel, D; Johnson, C; Bryant, C; Venkatraman, S; Setti, E; Mendonca, R; Palmer, JT A novel class of nonpeptidic biaryl inhibitors of human cathepsin K. J Med Chem 46:3709-27 (2003) [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:
BDBM19897
Synonyms:
N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide | Nonpeptidic Biaryl Nitrile Compound, 28c
Type:
Small organic molecule
Emp. Form.:
C24H30N4O
Mol. Mass.:
390.5212
SMILES:
CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1