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Target
Kallikrein-1
Ligand
BDBM345080
Substrate
n/a
Meas. Tech.
Kallikrein Assay
IC50
42.3±n/a nM
Citation
 Liu, W; Edmondson, SD; Guo, Z; Mertz, E; Ogawa, AK; So, S; Sun, W; Brockunier, LL; Ali, A; Kuang, R; Wu, H Factor Xla inhibitors US Patent  US9783530 Publication Date 10/10/2017 
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:
BDBM345080
Synonyms:
2-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-5-(3-chloro-2,6-difluorophenyl)-4-methylpyridine 1-oxide (Example 25) and 6-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-3-(3-chloro-2,6-difluorophenyl)-2-methylpyridine 1-oxide (Example 26) | US9783530, 25
Type:
Small organic molecule
Emp. Form.:
C28H21ClF2N2O4
Mol. Mass.:
522.927
SMILES:
Cc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)ccc(Cl)c1F |(-2.57,11.9,;-2.57,10.36,;-1.24,9.59,;-1.24,8.05,;.09,7.28,;.09,5.74,;1.43,4.97,;2.76,5.74,;4.1,4.98,;4.1,3.44,;2.76,2.66,;1.43,3.43,;1.43,8.05,;1.43,9.59,;2.76,7.28,;4.1,8.05,;4.1,9.59,;5.43,10.36,;6.81,9.62,;6.76,8.05,;5.43,7.28,;8.14,10.39,;8.14,11.93,;9.48,9.62,;-2.57,7.28,;-2.57,5.74,;-3.91,8.05,;-3.91,9.59,;-5.24,10.36,;-5.24,11.9,;-3.91,12.67,;-6.57,12.67,;-7.91,11.9,;-7.91,10.36,;-9.24,9.59,;-6.57,9.59,;-6.57,8.05,)|
Structure:
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