Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM408803
Substrate
n/a
Meas. Tech.
Inhibitory Activity In Vitro Assay
IC50
>10000±n/a nM
Citation
 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors US Patent  US11084809 Publication Date 8/10/2021 
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:
BDBM408803
Synonyms:
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-({4-[(2-oxopyrldin-1- yl)methyl]phenyl}methyl)-2-(trifluoromethyl)imidazole-4-carboxamide | US10364238, Example 124 | US11001578, Example 124 | US11084809, Example 124 | US11198691, Example 124
Type:
Small organic molecule
Emp. Form.:
C26H22F4N4O3
Mol. Mass.:
514.4715
SMILES:
COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)c(n2)C(F)(F)F)c1F
Structure:
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