Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM50195240
Substrate
n/a
Meas. Tech.
ChEMBL_1617560 (CHEMBL3859629)
IC50
7.9±n/a nM
Citation
 Connolly, S; Lönn, H; Käck, H; Van de Poël, A; Dahl, G; Doyle, K; Gardiner, P; Root, J; Wikell, C; Johannesson, P; Stenvall, K; Swallow, S Discovery of Second Generation Reversible Covalent DPP1 Inhibitors Leading to an Oxazepane Amidoacetonitrile Based Clinical Candidate (AZD7986). J Med Chem 59:9457-9472 (2016) [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:
BDBM50195240
Synonyms:
CHEMBL3960432 | US10287258, Example 3 | US10669245, Example 3 | US11117874, Example 3 | US11655221, Example 3 | US11680049, Example 3 | US20230278969, Example 3
Type:
Small organic molecule
Emp. Form.:
C24H26N4O4
Mol. Mass.:
434.4876
SMILES:
Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: