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Target
Plasma kallikrein
Ligand
BDBM416996
Substrate
n/a
Meas. Tech.
ChEMBL_2262414 (CHEMBL5217425)
IC50
3.2±n/a nM
Citation
 Zhang, W; Vadlakonda, S; Wu, M; Chintareddy, V; Vogeti, LN; Juarez, L; Muppa, S; Parker, C; Kellogg-Yelder, D; Williams, J; Polach, K; Chen, X; Raman, K; Babu, YS; Kotian, P Discovery and optimization of orally bioavailable and potent plasma Kallikrein inhibitors bearing a quaternary carbon. Bioorg Med Chem 73:0 (2022) [PubMed]  Article
Target
Name:
Plasma kallikrein
Synonyms:
Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:
Protein
Mol. Mass.:
71391.16
Organism:
Homo sapiens (Human)
Description:
P03952
Residue:
638
Sequence:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFFTFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGVDFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRIAYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
  
Inhibitor
Name:
BDBM416996
Synonyms:
(+)-N-(5-(1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | US10329260, Compound 214g | US10633345, Compound 215d | US10689346, Compound 215d | US11203574, Compound 215d | US11230530, Compound 215d | US11685721, Compound 215d | US11708332, Compound 215d
Type:
Small organic molecule
Emp. Form.:
C31H28F4N6O
Mol. Mass.:
576.5872
SMILES:
NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Structure:
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