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Target
Legumain
Ligand
BDBM50015356
Substrate
n/a
Meas. Tech.
ChEMBL_1347909 (CHEMBL3267446)
IC50
65±n/a nM
Citation
 Higgins, C; Bouazzaoui, S; Gaddale, K; D'Costa, Z; Templeman, A; O'Rourke, M; Young, A; Scott, C; Harrison, T; Mullan, P; Williams, R P3 SAR exploration of biphenyl carbamate based Legumain inhibitors. Bioorg Med Chem Lett 24:2521-4 (2014) [PubMed]  Article 
Target
Name:
Legumain
Synonyms:
3.4.22.34 | Asparaginyl endopeptidase | LGMN | LGMN_HUMAN | PRSC1 | Protease, cysteine 1
Type:
n/a
Mol. Mass.:
49411.12
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
433
Sequence:
MVWKVAVFLSVALGIGAVPIDDPEDGGKHWVVIVAGSNGWYNYRHQADACHAYQIIHRNGIPDEQIVVMMYDDIAYSEDNPTPGIVINRPNGTDVYQGVPKDYTGEDVTPQNFLAVLRGDAEAVKGIGSGKVLKSGPQDHVFIYFTDHGSTGILVFPNEDLHVKDLNETIHYMYKHKMYRKMVFYIEACESGSMMNHLPDNINVYATTAANPRESSYACYYDEKRSTYLGDWYSVNWMEDSDVEDLTKETLHKQYHLVKSHTNTSHVMQYGNKTISTMKVMQFQGMKRKASSPVPLPPVTHLDLTPSPDVPLTIMKRKLMNTNDLEESRQLTEEIQRHLDARHLIEKSVRKIVSLLAASEAEVEQLLSERAPLTGHSCYPEALLHFRTHCFNWHSPTYEYALRHLYVLVNLCEKPYPLHRIKLSMDHVCLGHY
  
Inhibitor
Name:
BDBM50015356
Synonyms:
CHEMBL3264586
Type:
Small organic molecule
Emp. Form.:
C24H23F3N4O4
Mol. Mass.:
488.459
SMILES:
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C#N |r|
Structure:
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