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Target
Cathepsin K
Ligand
BDBM50223919
Substrate
n/a
Meas. Tech.
ChEMBL_458256 (CHEMBL924502)
IC50
1.7±n/a nM
Citation
 Teno, N; Miyake, T; Ehara, T; Irie, O; Sakaki, J; Ohmori, O; Gunji, H; Matsuura, N; Masuya, K; Hitomi, Y; Nonomura, K; Horiuchi, M; Gohda, K; Iwasaki, A; Umemura, I; Tada, S; Kometani, M; Iwasaki, G; Cowan-Jacob, SW; Missbach, M; Lattmann, R; Betschart, C Novel scaffold for cathepsin K inhibitors. Bioorg Med Chem Lett 17:6096-100 (2007) [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:
BDBM50223919
Synonyms:
7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl)methyl]-7Hpyrrolo[2,3-d]pyrimidine-2-carbonitrile | 7-(2,2-dimethylpropyl)-6-{5-fluoro-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1-ylmethyl}-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL400395
Type:
Small organic molecule
Emp. Form.:
C25H27FN6O
Mol. Mass.:
446.5199
SMILES:
CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N
Structure:
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