Target
Kallikrein-1
Ligand
BDBM497252
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
>10000±n/a nM
Citation
 Davie, RLEdwards, HJEvans, DMHodgson, ST N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors US Patent  US11001578 Publication Date 5/11/2021 
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:
BDBM497252
Synonyms:
N-[(2,6-dimethylphenyl)methyl]-1-({4-[(4-methylpyrazol-1-yl)methyl]phenyl}methyl)- | US11001578, Example 25 | US11084809, Example 25 | US11198691, Example 25
Type:
Small organic molecule
Emp. Form.:
C26H26F3N5O
Mol. Mass.:
481.5127
SMILES:
Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cccc4C)c(n3)C(F)(F)F)cc2)c1
Structure:
Search PDB for entries with ligand similarity: