Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM50042857
Substrate
n/a
Meas. Tech.
ChEMBL_1444642 (CHEMBL3376640)
IC50
66000±n/a nM
Citation
 Grosche, P; Sirockin, F; Mac Sweeney, A; Ramage, P; Erbel, P; Melkko, S; Bernardi, A; Hughes, N; Ellis, D; Combrink, KD; Jarousse, N; Altmann, E Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett 25:438-43 (2015) [PubMed]  Article 
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:
BDBM50042857
Synonyms:
CHEMBL3354494
Type:
Small organic molecule
Emp. Form.:
C24H20Cl2N4O3
Mol. Mass.:
483.347
SMILES:
COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Structure:
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