Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19746
Substrate
BDBM19485
Meas. Tech.
Enzyme Inhibition Assay
IC50
6±n/a nM
Citation
Altmann, E; Aichholz, R; Betschart, C; Buhl, T; Green, J; Irie, O; Teno, N; Lattmann, R; Tintelnot-Blomley, M; Missbach, M 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. J Med Chem 50:591-4 (2007) [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:
BDBM19746
Synonyms:
6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]-9H-purine-2-carbonitrile | CHEMBL363847 | NVP-ABE854 | Purine lead structure, 1
Type:
Small organic molecule
Emp. Form.:
C19H28N8
Mol. Mass.:
368.4792
SMILES:
CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1