Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138514
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
98±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:
BDBM138514
Synonyms:
US8877775, 25 | US9073869, 25
Type:
Small organic molecule
Emp. Form.:
C26H29FN4O
Mol. Mass.:
432.5331
SMILES:
CN1Cc2ccc(cc2C1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)c(F)c1 |r,wU:19.20,wD:15.17,(7.98,-6.51,;7.21,-5.17,;7.83,-3.76,;6.69,-2.73,;6.69,-1.19,;5.36,-.42,;4.02,-1.19,;4.02,-2.73,;5.36,-3.5,;5.68,-5.01,;2.69,-.42,;2.69,1.12,;1.35,1.89,;.02,1.12,;-1.31,1.89,;-1.31,3.43,;-2.65,4.2,;-3.98,4.97,;-3.98,6.51,;-5.31,4.2,;-5.23,2.66,;-6.53,1.82,;-7.9,2.52,;-7.98,4.06,;-6.69,4.89,;-5.85,3.6,;-7.36,3.11,;.02,4.2,;1.35,4.97,;.02,-.42,;-1.31,-1.19,;1.35,-1.19,)|
Structure:
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