Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50240981
Substrate
n/a
Meas. Tech.
ChEMBL_490329 (CHEMBL982026)
IC50
0.4±n/a nM
Citation
 Hagmann, WK The many roles for fluorine in medicinal chemistry. J Med Chem 51:4359-69 (2008) [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:
BDBM50240981
Synonyms:
4'-piperazin-1-yl-biphenyl-4-carboxylic acid [1-(cyanomethyl-carbamoyl)-cyclohexyl]-amide | CHEMBL371133
Type:
Small organic molecule
Emp. Form.:
C26H31N5O2
Mol. Mass.:
445.5566
SMILES:
O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1
Structure:
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