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Target
Kallikrein-1
Ligand
BDBM50205625
Substrate
n/a
Meas. Tech.
ChEMBL_1628500 (CHEMBL3871085)
IC50
12600±n/a nM
Citation
 Barros, TG; Santos, JAN; de Souza, BEG; Sodero, ACR; de Souza, AMT; da Silva, DP; Rodrigues, CR; Pinheiro, S; Dias, LRS; Abrahim-Vieira, B; Puzer, L; Muri, EMF Discovery of a new isomannide-based peptidomimetic synthetized by Ugi multicomponent reaction as human tissue kallikrein 1 inhibitor. Bioorg Med Chem Lett 27:314-318 (2017) [PubMed]  Article 
Target
Name:
Kallikrein-1
Synonyms:
KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein
Type:
Enzyme
Mol. Mass.:
28874.69
Organism:
Homo sapiens (Human)
Description:
P06870
Residue:
262
Sequence:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWVLTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHDLMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKILPNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNKPSVAVRVLSYVKWIEDTIAENS
  
Inhibitor
Name:
BDBM50205625
Synonyms:
CHEMBL3901491
Type:
Small organic molecule
Emp. Form.:
C42H58N4O8
Mol. Mass.:
746.9319
SMILES:
[H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@@H]2N(C(=O)Cc1ccc(O)cc1)C(C)(C)C(=O)NC1CCCCC1 |r|
Structure:
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