Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50150532
Substrate
n/a
Meas. Tech.
ChEMBL_305167 (CHEMBL832757)
IC50
27±n/a nM
Citation
 Robichaud, J; Bayly, C; Oballa, R; Prasit, P; Mellon, C; Falgueyret, JP; Percival, MD; Wesolowski, G; Rodan, SB Rational design of potent and selective NH-linked aryl/heteroaryl cathepsin K inhibitors. Bioorg Med Chem Lett 14:4291-5 (2004) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_RABIT | CTSK
Type:
Enzyme
Mol. Mass.:
36879.51
Organism:
Oryctolagus cuniculus (rabbit)
Description:
n/a
Residue:
329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSIDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGGYMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGESWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM50150532
Synonyms:
(S)-4-Methyl-2-(4''-piperazin-1-yl-biphenyl-4-ylamino)-pentanoic acid cyanomethyl-amide | CHEMBL184859
Type:
Small organic molecule
Emp. Form.:
C24H31N5O
Mol. Mass.:
405.5358
SMILES:
CC(C)C[C@H](Nc1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N
Structure:
Search PDB for entries with ligand similarity: