Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50188297
Substrate
n/a
Meas. Tech.
ChEMBL_379266 (CHEMBL853454)
Ki
1.3±n/a nM
Citation
Setti, EL; Venkatraman, S; Palmer, JT; Xie, X; Cheung, H; Yu, W; Wesolowski, G; Robichaud, J Design and synthesis of tetracyclic nonpeptidic biaryl nitrile inhibitors of cathepsin K. Bioorg Med Chem Lett 16:4296-9 (2006) [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:
BDBM50188297
Synonyms:
(R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-thiazol-4-yl]-biphenyl-3-yl}-pentanoic acid cyanomethyl-amide | CHEMBL213930
Type:
Small organic molecule
Emp. Form.:
C28H33N5OS
Mol. Mass.:
487.66
SMILES:
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1