Target
Cathepsin K
Ligand
BDBM50313476
Substrate
n/a
Meas. Tech.
ChEMBL_673957 (CHEMBL1275134)
IC50
4±n/a nM
Citation
 Rankovic, ZCai, JKerr, JFradera, XRobinson, JMistry, AFinlay, WMcGarry, GAndrews, FCaulfield, WCumming, IDempster, MWaller, JArbuckle, WAnderson, MMartin, IMitchell, ALong, CBaugh, MWestwood, PKinghorn, EJones, PUitdehaag, JCvan Zeeland, MPotin, DSaniere, LFouquet, AChevallier, FDeronzier, HDorleans, CNicolai, E Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorg Med Chem Lett 20:6237-41 (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:
BDBM50313476
Synonyms:
4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile | CHEMBL1084400
Type:
Small organic molecule
Emp. Form.:
C20H21F3N4
Mol. Mass.:
374.4027
SMILES:
FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N
Structure:
Search PDB for entries with ligand similarity: