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Target
Legumain
Ligand
BDBM50499735
Substrate
n/a
Meas. Tech.
ChEMBL_1540559 (CHEMBL3744013)
IC50
47±n/a nM
Citation
 Ness, KA; Eddie, SL; Higgins, CA; Templeman, A; D'Costa, Z; Gaddale, KK; Bouzzaoui, S; Jordan, L; Janssen, D; Harrison, T; Burkamp, F; Young, A; Burden, R; Scott, CJ; Mullan, PB; Williams, R Development of a potent and selective cell penetrant Legumain inhibitor. Bioorg Med Chem Lett 25:5642-5 (2015) [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:
BDBM50499735
Synonyms:
CHEMBL3740206
Type:
Small organic molecule
Emp. Form.:
C21H21FN4O4S
Mol. Mass.:
444.479
SMILES:
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)C#N |r|
Structure:
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