Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM163508
Substrate
n/a
Meas. Tech.
KLK1 Activity Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
55000±n/a nM
Comments
extracted
Citation
 Short, KM; Pham, SM; Williams, DC; Kita, DB Multisubstituted aromatic compounds as serine protease inhibitors US Patent  US9687479 Publication Date 6/27/2017 
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:
BDBM163508
Synonyms:
US9687479, 22 N-[(5-chlorothiophen-2-yl)methyl]-1-[(2-methoxyphenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine | US9687479, 391 N-[(5-chlorothiophen-2-yl)methyl]-1-[(2-methylphenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
Type:
Small Organic Molecule
Emp. Form.:
C20H16ClN5O2S
Mol. Mass.:
425.891
SMILES:
COc1ccccc1C(=O)n1nc(nc1NCc1ccc(Cl)s1)-c1ccccn1
Structure:
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