Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM162646
Substrate
n/a
Meas. Tech.
KLK1 Activity Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
>100000±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:
BDBM162646
Synonyms:
US9687479, 126 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2,4-dimethoxyphenyl)carbonyl]-1H-pyrazol-3-yl)-1-(pyridin-3-ylmethyl)-1,2-dihydropyridin-2-one
Type:
Small Organic Molecule
Emp. Form.:
C28H24ClN5O4S
Mol. Mass.:
562.039
SMILES:
COc1ccc(C(=O)n2nc(cc2NCc2ccc(Cl)s2)-c2cccn(Cc3cccnc3)c2=O)c(OC)c1
Structure:
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