Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50138846
Substrate
n/a
Meas. Tech.
ChEMBL_45540 (CHEMBL656670)
IC50
1.7±n/a nM
Citation
Tavares, FX; Boncek, V; Deaton, DN; Hassell, AM; Long, ST; Miller, AB; Payne, AA; Miller, LR; Shewchuk, LM; Wells-Knecht, K; Willard, DH; Wright, LL; Zhou, HQ Design of potent, selective, and orally bioavailable inhibitors of cysteine protease cathepsin k. J Med Chem 47:588-99 (2004) [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:
BDBM50138846
Synonyms:
3-[(S)-3-(1-Isopropyl-2-methyl-propoxycarbonylamino)-2-oxo-heptanoylamino]-1H-pyrazole-4-carboxylic acid ethyl ester | CHEMBL155941
Type:
Small organic molecule
Emp. Form.:
C21H34N4O6
Mol. Mass.:
438.5179
SMILES:
CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C(=O)OCC