Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19847
Substrate
BDBM19480
Meas. Tech.
Enzyme Inhibition Assay
IC50
0.5±n/a nM
Citation
 Crane, SN; Black, WC; Palmer, JT; Davis, DE; Setti, E; Robichaud, J; Paquet, J; Oballa, RM; Bayly, CI; McKay, DJ; Somoza, JR; Chauret, N; Seto, C; Scheigetz, J; Wesolowski, G; Massé, F; Desmarais, S; Ouellet, M Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. J Med Chem 49:1066-79 (2006) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_RABIT | CTSK
Type:
Enzyme
Mol. Mass.:
36879.51
Organism:
Rabbit
Description:
n/a
Residue:
329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSIDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGGYMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGESWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM19847
Synonyms:
(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-{2-[4-(methylsulfanyl)phenyl]phenyl}cyclohexane-1-carboxamide | BMCL173146 Compound (+/-)-1 | BMCL173146 Compound (-)-1 | CHEMBL201782 | Cyclohexanecarboxamide derivative, (-)-34a | Cyclohexanecarboxamide derivative, rac-34 | racemic mixture
Type:
Small organic molecule
Emp. Form.:
C22H22F2N2OS
Mol. Mass.:
400.485
SMILES:
CSc1ccc(cc1)-c1ccccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19480
Synonyms:
Cbz-Leu-Arg-AMC | Fluorogenic substrate | Z-Leu-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: