Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM359713
Substrate
n/a
Meas. Tech.
KLK1 inhibitory activity
IC50
40000±n/a nM
Citation
 Edwards, HJ; Evans, DM; Meghani, P; Novak, AR Inhibitors of plasma kallikrein US Patent  US10221161 Publication Date 3/5/2019 
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:
BDBM359713
Synonyms:
N-{[4-(Aminomethyl)-2,6-dimethylphenyl]methyl}-6-({4-[(4-methylpyrazol-1-yl)methyl]phenyl}methyl)pyrazine-2-carboxamide | US10221161, Example 95 | US11242333, Example 95
Type:
Small organic molecule
Emp. Form.:
C27H30N6O
Mol. Mass.:
454.5667
SMILES:
Cc1cnn(Cc2ccc(Cc3cncc(n3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
Structure:
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