Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50313461
Substrate
n/a
Meas. Tech.
ChEMBL_643444 (CHEMBL1212308)
IC50
33±n/a nM
Citation
 Cai, J; Fradera, X; van Zeeland, M; Dempster, M; Cameron, KS; Bennett, DJ; Robinson, J; Popplestone, L; Baugh, M; Westwood, P; Bruin, J; Hamilton, W; Kinghorn, E; Long, C; Uitdehaag, JC 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg Med Chem Lett 20:4507-10 (2010) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Homo sapiens (Human)
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM50313461
Synonyms:
4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | CHEMBL1079000
Type:
Small organic molecule
Emp. Form.:
C15H12F3N3
Mol. Mass.:
291.2711
SMILES:
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: