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Target
Kallikrein-1
Ligand
BDBM357056
Substrate
n/a
Meas. Tech.
Kallikrein Assay
Ki
0.810±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:
BDBM357056
Synonyms:
5-(5-chloro-2-(4-(difluoromethyl)-1H-1,2,3-triazol-1-yl)phenyl)-2-(24-((methoxycarbonyl)amino)-4-oxo-3-aza-1(1,3),2(1,2)-dibenzenacy clononaphane-9-yl)pyridine 1-oxide | US10214512, Example 36-a
Type:
Small organic molecule
Emp. Form.:
C34H29ClF2N6O4
Mol. Mass.:
659.082
SMILES:
COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cc(nn2)C(F)F)c1
Structure:
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