Reaction Details  Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50414625
Substrate
n/a
Meas. Tech.
ChEMBL_581588 (CHEMBL1062475)
IC50
>10000±n/a nM
Citation
 Bethel, PA; Gerhardt, S; Jones, EV; Kenny, PW; Karoutchi, GI; Morley, AD; Oldham, K; Rankine, N; Augustin, M; Krapp, S; Simader, H; Steinbacher, S Design of selective Cathepsin inhibitors. Bioorg Med Chem Lett 19:4622-5 (2009) [PubMed]  Article
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:
BDBM50414625
Synonyms:
CHEMBL559248
Type:
Small organic molecule
Emp. Form.:
C22H21N5O2
Mol. Mass.:
387.4344
SMILES:
Cn1nccc1-c1cccc(CC(NC(=O)c2ccccc2)C(=O)NCC#N)c1
Structure:
Search PDB for entries with ligand similarity: