Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138496
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
66.4±n/a nM
Comments
extracted
Citation
 Anderskewitz, R; Grauert, M; Grundl, M; Oost, T; Pautsch, A; Peters, S Substituted 2-aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C US Patent  US8877775 Publication Date 11/4/2014 
Target
Name:
Dipeptidyl peptidase 1
Synonyms:
CATC_HUMAN | CPPI | CTSC | Cathepsin C | Cathepsin J | Dipeptidyl peptidase 1 (DDPI) | Dipeptidyl peptidase 1 (DPPI) | Dipeptidyl peptidase I | Dipeptidyl peptidase I (DPPI)
Type:
Enzyme
Mol. Mass.:
51857.28
Organism:
Homo sapiens (Human)
Description:
P53634
Residue:
463
Sequence:
MGAGPSLLLAALLLLLSGDGAVRCDTPANCTYLDLLGTWVFQVGSSGSQRDVNCSVMGPQEKKVVVYLQKLDTAYDDLGNSGHFTIIYNQGFEIVLNDYKWFAFFKYKEEGSKVTTYCNETMTGWVHDVLGRNWACFTGKKVGTASENVYVNIAHLKNSQEKYSNRLYKYDHNFVKAINAIQKSWTATTYMEYETLTLGDMIRRSGGHSRKIPRPKPAPLTAEIQQKILHLPTSWDWRNVHGINFVSPVRNQASCGSCYSFASMGMLEARIRILTNNSQTPILSPQEVVSCSQYAQGCEGGFPYLIAGKYAQDFGLVEEACFPYTGTDSPCKMKEDCFRYYSSEYHYVGGFYGGCNEALMKLELVHHGPMAVAFEVYDDFLHYKKGIYHHTGLRDPFNPFELTNHAVLLVGYGTDSASGMDYWIVKNSWGTGWGENGYFRIRRGTDECAIESIAVAATPIPKL
  
Inhibitor
Name:
BDBM138496
Synonyms:
US8877775, 7 | US9073869, 7
Type:
Small organic molecule
Emp. Form.:
C24H23FN4O
Mol. Mass.:
402.464
SMILES:
Fc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@H]3CC[C@@H]2CC3)C#N)cc1 |r,wU:18.18,23.23,wD:14.15,20.20,TLB:16:18:25.24:22.21,(4.96,-5.89,;4.96,-4.35,;3.63,-3.58,;3.63,-2.04,;4.96,-1.27,;6.3,-2.04,;6.3,-3.58,;7.63,-4.35,;8.96,-5.12,;2.29,-1.27,;.96,-2.04,;-.37,-1.27,;-.37,.27,;-1.71,1.04,;-1.71,2.58,;-3.04,3.35,;-4.37,2.58,;-4.37,1.04,;-5.71,3.35,;-7.25,3.36,;-7.42,4.8,;-5.71,5.84,;-4.28,5.69,;-5.74,4.8,;-7.21,5.83,;-8.66,5.89,;-.37,3.35,;.96,4.12,;.96,1.04,;2.29,.27,)|
Structure:
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