Ki Summary

Reaction Details

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Target

Cathepsin K

Ligand

BDBM50165420

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_304810 (CHEMBL827900)

IC50

7.2±n/a nM

Citation

Barrett, DG; Catalano, JG; Deaton, DN; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Wells-Knecht, KJ; Wright, LL A structural screening approach to ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett15:2209-13 (2005) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cathepsin K

Name:

Cathepsin K

Synonyms:

Type:

Enzyme

Mol. Mass.:

36975.68

Organism:

Homo sapiens (Human)

Description:

P43235

Residue:

329

Sequence:

MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVD
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGG
YMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGE
NWGNKGYILMARNKNNACGIANLASFPKM

BDBM50165420

n/a

Name

BDBM50165420

Synonyms:

CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid adamantan-2-yl ester

Type

Small organic molecule

Emp. Form.

C26H36N2O4

Mol. Mass.

440.575

SMILES

CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|

Structure