Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetKallikrein 1
LigandBDBM50205623
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1628500
IC50 221000±n/a nM
Citation Barros, TGSantos, JANde Souza, BEGSodero, ACRde Souza, AMTda Silva, DPRodrigues, CRPinheiro, SDias, LRSAbrahim-Vieira, BPuzer, LMuri, EMF Discovery of a new isomannide-based peptidomimetic synthetized by Ugi multicomponent reaction as human tissue kallikrein 1 inhibitor. Bioorg Med Chem Lett27:314-318 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Kallikrein 1
Name:Kallikrein 1
Synonyms: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:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWV
LTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHD
LMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKIL
PNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNK
PSVAVRVLSYVKWIEDTIAENS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50205623
NameBDBM50205623
Synonyms:CHEMBL3951954
TypeSmall organic molecule
Emp. Form.C31H39FN2O5
Mol. Mass.538.6502
SMILES[H][C@]12OC[C@H](N(C(=O)Cc3ccc(F)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a