Reaction Details |
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Target | Plasma kallikrein |
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Ligand | BDBM416993 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2262413 (CHEMBL5217424) |
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IC50 | 2.8±n/a nM |
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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 Chem73:0 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Plasma kallikrein |
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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: | MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLF
SFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVD
MRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
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BDBM416993 |
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n/a |
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Name | BDBM416993 |
Synonyms: | (+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylpropyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | US10329260, Compound 212g | US10633345, Compound 213d | US10689346, Compound 213d | US11203574, Compound 213d | US11230530, Compound 213d | US11685721, Compound 213d | US11708332, Compound 213d |
Type | Small organic molecule |
Emp. Form. | C31H28F4N6O |
Mol. Mass. | 576.5872 |
SMILES | NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F |
Structure |
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