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Target
Kallikrein-1
Ligand
BDBM598476
Substrate
n/a
Meas. Tech.
Determination of the IC50 for KLK1
IC50
>40000±n/a nM
Citation
 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Mazzacani, A; Stocks, MJ; Baker, TM; Conroy, MR; Smith, AJ; Clark, DE Enzyme inhibitors US Patent  US11613527 Publication Date 3/28/2023 
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:
BDBM598476
Synonyms:
1-{1H,2H,3H,5H,6H,10bH-pyrrolo[2,1-a]isoquinolin-9-ylmethyl}-N-{[2-fluoro-3- methoxy-6-(4-methyl-1,2,3-triazol-1-yl)phenyl]methyl}-3-(methoxymethyl)pyrazole- 4-carboxamide | US11613527, Example 120
Type:
Small organic molecule
Emp. Form.:
C30H34FN7O3
Mol. Mass.:
559.6345
SMILES:
COCc1nn(Cc2ccc3CCN4CCCC4c3c2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cc(C)nn1
Structure:
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