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Target
Kallikrein-1
Ligand
BDBM619968
Substrate
n/a
Meas. Tech.
Kallikrein Inhibition Assay Utilizing a Quenched AMC Peptide Substrate
IC50
0.700±n/a nM
Citation
 XU, G; GAUL, MD; THIEU, TV; ZHANG, J; WALL, M; GAO, LH; ZHU, B; LU, T; GUO, B; LIU, Z; NARGUND, R; MACIELAG, MJ 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS US Patent  US20230295157 Publication Date 9/21/2023 
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:
BDBM619968
Synonyms:
5-(2-((3S,8aS)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)-5-oxo-1,2,3,5,8,8a-hexahydroindolizin-3-yl)-1H-imidazol-5-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one | US20230295157, Example 292
Type:
Small organic molecule
Emp. Form.:
C25H19ClFN9O2
Mol. Mass.:
531.929
SMILES:
Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@@H](CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)[nH]c3c2)C1)-n1cnnn1 |r,t:9|
Structure:
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