Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM50195235
Substrate
n/a
Meas. Tech.
ChEMBL_1617581 (CHEMBL3859650)
IC50
20±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
More Info.:
Target
Name:
Dipeptidyl peptidase 1
Synonyms:
CATC_RAT | Cathepsin C | Cathepsin J | Ctsc | DPP-I | DPPI | Dipeptidyl peptidase 1 | Dipeptidyl peptidase 1 exclusion domain chain | Dipeptidyl peptidase 1 heavy chain | Dipeptidyl peptidase 1 light chain | Dipeptidyl peptidase I | Dipeptidyl peptidase I exclusion domain chain | Dipeptidyl peptidase I heavy chain | Dipeptidyl peptidase I light chain | Dipeptidyl transferase
Type:
PROTEIN
Mol. Mass.:
52238.74
Organism:
Rattus norvegicus
Description:
ChEMBL_109229
Residue:
462
Sequence:
MGPWTHSLRAALLLVLLGVCTVSSDTPANCTYPDLLGTWVFQVGPRHPRSHINCSVMEPTEEKVVIHLKKLDTAYDEVGNSGYFTLIYNQGFEIVLNDYKWFAFFKYEVKGSRAISYCHETMTGWVHDVLGRNWACFVGKKMANHSEKVYVNVAHLGGLQEKYSERLYSHNHNFVKAINSVQKSWTATTYEEYEKLSIRDLIRRSGHSGRILRPKPAPITDEIQQQILSLPESWDWRNVRGINFVSPVRNQESCGSCYSFASLGMLEARIRILTNNSQTPILSPQEVVSCSPYAQGCDGGFPYLIAGKYAQDFGVVEENCFPYTATDAPCKPKENCLRYYSSEYYYVGGFYGGCNEALMKLELVKHGPMAVAFEVHDDFLHYHSGIYHHTGLSDPFNPFELTNHAVLLVGYGKDPVTGLDYWIVKNSWGSQWGESGYFRIRRGTDECAIESIAMAAIPIPKL
Inhibitor
Name:
BDBM50195235
Synonyms:
CHEMBL3900409 | US10287258, Example 2 | US10669245, Example 2 | US11117874, Example 2 | US11655221, Example 2 | US11680049, Example 2 | US20230278969, Example 2
Type:
Small organic molecule
Emp. Form.:
C23H24N4O4
Mol. Mass.:
420.4611
SMILES:
Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|