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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Plasma kallikrein | ||
| Ligand | BDBM50060703 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_92238 (CHEMBL703583) | ||
| Ki | >1000000±n/a nM | ||
| Citation |  Tucker, TJ; Lumma, WC; Lewis, SD; Gardell, SJ; Lucas, BJ; Sisko, JT; Lynch, JJ; Lyle, EA; Baskin, EP; Woltmann, RF; Appleby, SD; Chen, IW; Dancheck, KB; Naylor-Olsen, AM; Krueger, JA; Cooper, CM; Vacca, JP Synthesis of a series of potent and orally bioavailable thrombin inhibitors that utilize 3,3-disubstituted propionic acid derivatives in the P3 position. J Med Chem40:3687-93 (1997) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Plasma kallikrein | |||
| 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: |
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| BDBM50060703 | |||
| n/a | |||
| Name | BDBM50060703 | ||
| Synonyms: | (S)-1-(3-Phenyl-3-pyridin-4-yl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide; TFA | CHEMBL431675 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H34N4O2 | ||
| Mol. Mass. | 434.5738 | ||
| SMILES | NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccncc2)CC1 |wU:9.8,(4.43,-12.54,;3.47,-11.35,;3.06,-10.09,;3.71,-8.48,;2.38,-7.71,;.97,-7.08,;.81,-5.54,;-.58,-4.92,;-1.83,-5.83,;-.74,-3.38,;.4,-2.36,;-.22,-.94,;-1.76,-1.1,;-2.08,-2.61,;-3.49,-3.22,;-3.65,-4.77,;-4.75,-2.32,;-4.75,-.78,;-3.41,-.01,;-2.06,-.78,;-.73,-.01,;-.73,1.53,;-2.08,2.3,;-3.41,1.53,;-6.07,-.01,;-6.07,1.54,;-7.39,2.31,;-8.74,1.54,;-8.73,-.01,;-7.39,-.77,;2.77,-8.88,;2.15,-10.58,)| | ||
| Structure | 
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