Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50152524
Substrate
n/a
Meas. Tech.
ChEMBL_619386 (CHEMBL1115812)
IC50
0.832±n/a nM
Citation
 Pan, X; Tan, N; Zeng, G; Huang, H; Yan, H 3D QSAR studies on ketoamides of human cathepsin K inhibitors based on two different alignment methods. Eur J Med Chem 45:667-81 (2010) [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:
BDBM50152524
Synonyms:
(S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyrazol-5-ylamino)-1,2-dioxoheptan-3-ylcarbamate | CHEMBL185097 | [(S)-1-(2H-Pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-(4-fluoro-benzyl)-cyclobutylmethyl ester | [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
Type:
Small organic molecule
Emp. Form.:
C23H29FN4O4
Mol. Mass.:
444.4992
SMILES:
CCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1ccn[nH]1
Structure:
Search PDB for entries with ligand similarity: