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Target
Kallikrein-1
Ligand
BDBM619933
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:
BDBM619933
Synonyms:
N-[2-[2-[(3S,8aR)-7-[3-Chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-4-methoxy-phenyl]cyclopropanecarboxamide | US20230295157, Example 257
Type:
Small organic molecule
Emp. Form.:
C29H26ClFN8O3
Mol. Mass.:
589.02
SMILES:
COc1ccc(NC(=O)C2CC2)c(c1)-c1c[nH]c(n1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:27|
Structure:
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