Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138510
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
159.8±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:
BDBM138510
Synonyms:
US8877775, 21 | US9073869, 21
Type:
Small organic molecule
Emp. Form.:
C28H32N4O3
Mol. Mass.:
472.5787
SMILES:
COCCN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:23.24,wD:19.21,(10.38,.45,;8.84,.45,;8.07,-.89,;6.53,-.89,;5.76,-2.22,;6.66,-3.47,;8.2,-3.47,;5.76,-4.71,;4.29,-4.23,;2.96,-5,;1.63,-4.23,;1.63,-2.69,;2.96,-1.93,;4.29,-2.69,;.29,-1.93,;-1.04,-2.69,;-2.38,-1.93,;-2.38,-.38,;-3.71,.38,;-3.71,1.93,;-5.04,2.69,;-6.38,1.93,;-6.38,.38,;-7.71,2.69,;-9.04,1.93,;-10.38,2.69,;-10.38,4.23,;-9.04,5,;-7.71,4.23,;-8.48,2.9,;-9.61,4.03,;-2.38,2.69,;-1.04,3.47,;-1.04,.38,;.29,-.38,)|
Structure:
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