Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19909
Substrate
BDBM19480
Meas. Tech.
In Vitro Enzyme Inhibition Assay and Bone-Resorption Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
0.4±n/a nM
EC50
41±n/a nM
Citation
 Robichaud, J; Bayly, CI; Black, WC; Desmarais, S; Léger, S; Massé, F; McKay, DJ; Oballa, RM; Pâquet, J; Percival, MD; Truchon, JF; Wesolowski, G; Crane, SN Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core. Bioorg Med Chem Lett 17:3146-51 (2007) [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:
BDBM19909
Synonyms:
(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-{1-methyl-4-[4-(methylsulfanyl)phenyl]-1H-pyrazol-3-yl}cyclohexane-1-carboxamide | CHEMBL492654 | beta-substituted cyclohexanecarboxamide, 10
Type:
Small organic molecule
Emp. Form.:
C20H22F2N4OS
Mol. Mass.:
404.477
SMILES:
CSc1ccc(cc1)-c1cn(C)nc1[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: