Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138508
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
133.7±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:
BDBM138508
Synonyms:
US8877775, 19 | US9073869, 19
Type:
Small organic molecule
Emp. Form.:
C26H28N4O2
Mol. Mass.:
428.5261
SMILES:
CN1C(=O)Cc2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:20.21,wD:16.18,(8.68,-3.76,;7.14,-3.76,;6.51,-5.17,;7.28,-6.51,;4.98,-5.01,;4.66,-3.5,;3.33,-2.73,;3.33,-1.19,;4.66,-.42,;5.99,-1.19,;5.99,-2.73,;1.99,-.42,;.66,-1.19,;-.68,-.42,;-.68,1.12,;-2.01,1.89,;-2.01,3.43,;-3.34,4.2,;-4.68,3.43,;-4.68,1.89,;-6.01,4.2,;-7.34,3.43,;-8.68,4.2,;-8.68,5.74,;-7.34,6.51,;-6.01,5.74,;-6.78,4.4,;-7.91,5.53,;-.68,4.2,;.66,4.97,;.66,1.89,;1.99,1.12,)|
Structure:
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