Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetKallikrein-1
LigandBDBM408742
Substrate/Competitorn/a
Meas. Tech.Inhibitory Activity In Vitro Assay
IC50>10000±n/a nM
Citation Davie, RLEdwards, HJEvans, DMHodgson, ST N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors US Patent US10364238 Publication Date 7/30/2019
More Info.:Get all data from this article,  Assay Method
 
Kallikrein-1
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:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWV
LTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHD
LMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKIL
PNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNK
PSVAVRVLSYVKWIEDTIAENS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM408742
n/a
NameBDBM408742
Synonyms: 3-(methoxymethyl)-1-({4-[(2-oxopyridin-1-yl)methyl]phenyl}methyl)-N-{[2- (trifluoromethyl)phenyl]methyl}pyrazole-4-carboxamide | US10364238, Example 63 | US11001578, Example 63 | US11084809, Example 63 | US11198691, Example 63
TypeSmall organic molecule
Emp. Form.C27H25F3N4O3
Mol. Mass.510.5076
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ccccc1C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: