Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM357099
Substrate
n/a
Meas. Tech.
Kallikrein Assay
Ki
0.530±n/a nM
Citation
 Xu, J; Ali, A; Zhou, W; Gao, Y; Edmondson, SD; Mertz, E; Neelamkavil, SF; Liu, W; Sun, W; Shen, D; Harper, B; Zhu, C; Bara, T; Lim, Y; Yang, M Factor XIA inhibitors US Patent  US10214512 Publication Date 2/26/2019 
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:
BDBM357099
Synonyms:
5-(3-chloro-2,6-difluorophenyl)-2-((5R,9S)-15-fluoro-24- ((methoxycarbonyl)amino)-5-methyl-4-oxo-3-aza-1(2,4)-pyridina-2(1,2)- benzenacyclononaphane-9-yl)pyridine 1-oxide | US10214512, Example 76-a
Type:
Small organic molecule
Emp. Form.:
C31H26ClF3N4O4
Mol. Mass.:
611.011
SMILES:
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@@H](c3cc-2ncc3F)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r|
Structure:
Search PDB for entries with ligand similarity: