Reaction Details
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Cathepsin K
Ligand
BDBM50306308
Substrate
n/a
Meas. Tech.
ChEMBL_609281 (CHEMBL1070042)
IC50
0.5±n/a nM
Citation
Isabel, E; Bateman, KP; Chauret, N; Cromlish, W; Desmarais, S; Duong, le T; Falgueyret, JP; Gauthier, JY; Lamontagne, S; Lau, CK; Léger, S; LeRiche, T; Lévesque, JF; Li, CS; Massé, F; McKay, DJ; Mellon, C; Nicoll-Griffith, DA; Oballa, RM; Percival, MD; Riendeau, D; Robichaud, J; Rodan, GA; Rodan, SB; Seto, C; Thérien, M; Truong, VL; Wesolowski, G; Young, RN; Zamboni, R; Black, WC The discovery of MK-0674, an orally bioavailable cathepsin K inhibitor. Bioorg Med Chem Lett 20:887-92 (2010) [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:
BDBM50306308
Synonyms:
1-(6-(4-((S)-1-((S)-1-(1-cyanocyclopropylamino)-4-fluoro-4-methyl-1-oxopentan-2-ylamino)-2,2,2-trifluoroethyl)phenyl)pyridin-3-yl)cyclopropanecarboxamide | CHEMBL598299
Type:
Small organic molecule
Emp. Form.:
C27H29F4N5O2
Mol. Mass.:
531.5451
SMILES:
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cn1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Structure:
