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Target
Cathepsin K
Ligand
BDBM50252504
Substrate
n/a
Meas. Tech.
ChEMBL_487681 (CHEMBL1009449)
IC50
>1000±n/a nM
Citation
 Irie, O; Ehara, T; Iwasaki, A; Yokokawa, F; Sakaki, J; Hirao, H; Kanazawa, T; Teno, N; Horiuchi, M; Umemura, I; Gunji, H; Masuya, K; Hitomi, Y; Iwasaki, G; Nonomura, K; Tanabe, K; Fukaya, H; Kosaka, T; Snell, CR; Hallett, A Discovery of selective and nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett 18:3959-62 (2008) [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:
BDBM50252504
Synonyms:
6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL494886
Type:
Small organic molecule
Emp. Form.:
C23H25ClN4
Mol. Mass.:
392.924
SMILES:
Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1
Structure:
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