Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM408797
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:
BDBM408797
Synonyms:
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({4-[(4-methyl-2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide | US10364238, Example 106 | US11001578, Example 106 | US11084809, Example 106 | US11198691, Example 106
Type:
Small organic molecule
Emp. Form.:
C28H28F2N4O4
Mol. Mass.:
522.5431
SMILES:
COCc1nn(Cc2ccc(Cn3ccc(C)cc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1F
Structure:
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