Reaction Details  Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM50444296
Substrate
n/a
Meas. Tech.
ChEMBL_1278120 (CHEMBL3095808)
IC50
>50000±n/a nM
Citation
 Lucas, SD; Gonçalves, LM; Carvalho, LA; Correia, HF; Da Costa, EM; Guedes, RA; Moreira, R; Guedes, RC Optimization of O3-acyl kojic acid derivatives as potent and selective human neutrophil elastase inhibitors. J Med Chem 56:9802-6 (2014) [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:
BDBM50444296
Synonyms:
CHEMBL3093814
Type:
Small organic molecule
Emp. Form.:
C19H17NO7S
Mol. Mass.:
403.406
SMILES:
CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O
Structure:
Search PDB for entries with ligand similarity: