Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM408672
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 plasma kallikrein inhibitors US Patent  US10364238 Publication Date 7/30/2019 
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:
BDBM408672
Synonyms:
N-[(3-ethoxyphenyl)methyl]-1-({4-[(4-methylpyrazol-1-yl)methyl]phenyl}methyl)-3- (trifluoromethyl)pyrazole-4-carboxamide | US10364238, Example 6 | US11001578, Example 6 | US11084809, Example 6 | US11198691, Example 6
Type:
Small organic molecule
Emp. Form.:
C26H26F3N5O2
Mol. Mass.:
497.5121
SMILES:
CCOc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4cc(C)cn4)cc3)nc2C(F)(F)F)c1
Structure:
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