Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19850
Substrate
BDBM19480
Meas. Tech.
Enzyme Inhibition Assay
IC50
19±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
More Info.:
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:
BDBM19850
Synonyms:
(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-[2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide | Cyclohexanecarboxamide derivative, rac-34b | racemic mixture
Type:
Small organic molecule
Emp. Form.:
C21H19F3N2O
Mol. Mass.:
372.3836
SMILES:
Fc1ccc(cc1)-c1ccccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|