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Target
Cathepsin K
Ligand
BDBM50313479
Substrate
n/a
Meas. Tech.
ChEMBL_617377 (CHEMBL1101888)
IC50
100±n/a nM
Citation
 Rankovic, Z; Cai, J; Kerr, J; Fradera, X; Robinson, J; Mistry, A; Hamilton, E; McGarry, G; Andrews, F; Caulfield, W; Cumming, I; Dempster, M; Waller, J; Scullion, P; Martin, I; Mitchell, A; Long, C; Baugh, M; Westwood, P; Kinghorn, E; Bruin, J; Hamilton, W; Uitdehaag, J; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, E Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorg Med Chem Lett 20:1524-7 (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:
BDBM50313479
Synonyms:
4-cycloheptyl-6-(3-(piperidin-1-yl)propyl)pyrimidine-2-carbonitrile | 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile | CHEMBL1084403
Type:
Small organic molecule
Emp. Form.:
C20H30N4
Mol. Mass.:
326.479
SMILES:
N#Cc1nc(CCCN2CCCCC2)cc(n1)C1CCCCCC1
Structure:
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