Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50461249
Substrate
n/a
Meas. Tech.
ChEMBL_1771110 (CHEMBL4223222)
IC50
0.200000±n/a nM
Citation
 Nizi, E; Sferrazza, A; Fabbrini, D; Nardi, V; Andreini, M; Graziani, R; Gennari, N; Bresciani, A; Paonessa, G; Harper, S Peptidomimetic nitrile inhibitors of malarial protease falcipain-2 with high selectivity against human cathepsins. Bioorg Med Chem Lett 28:1540-1544 (2018) [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:
BDBM50461249
Synonyms:
CHEMBL1215628
Type:
Small organic molecule
Emp. Form.:
C22H28BrN7O
Mol. Mass.:
486.408
SMILES:
CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N
Structure:
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