Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50138865
Substrate
n/a
Meas. Tech.
ChEMBL_48338 (CHEMBL663327)
IC50
1100±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 
Target
Name:
Cathepsin K
Synonyms:
CATK_RAT | Ctsk
Type:
PROTEIN
Mol. Mass.:
36798.82
Organism:
Rattus norvegicus
Description:
ChEMBL_633322
Residue:
329
Sequence:
MWVFKFLLLPVVSFALSPEETLDTQWELWKKTHGKQYNSKVDEISRRLIWEKNLKKISVHNLEASLGAHTYELAMNHLGDMTSEEVVQKMTGLRVPPSRSFSNDTLYTPEWEGRVPDSIDYRKKGYVTPVKNQGQCGSCWAFSSAGALEGQLKKKTGKLLALSPQNLVDCVSENYGCGGGYMTTAFQYVQQNGGIDSEDAYPYVGQDESCMYNATAKAAKCRGYREIPVGNEKALKRAVARVGPVSVSIDASLTSFQFYSRGVYYDENCDRDNVNHAVLVVGYGTQKGNKYWIIKNSWGESWGNKGYVLLARNKNNACGITNLASFPKM
  
Inhibitor
Name:
BDBM50138865
Synonyms:
CHEMBL155148 | [(S)-1-(2-Cyclobutyl-2H-pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester
Type:
Small organic molecule
Emp. Form.:
C22H36N4O4
Mol. Mass.:
420.5456
SMILES:
CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCC1
Structure:
Search PDB for entries with ligand similarity: