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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Serine protease 1 | ||
| Ligand | BDBM50060710 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_212860 (CHEMBL817812) | ||
| Ki | 17000±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 | ||
| Serine protease 1 | |||
| Name: | Serine protease 1 | ||
| Synonyms: | Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 26557.80 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P07477 | ||
| Residue: | 247 | ||
| Sequence: |
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| BDBM50060710 | |||
| n/a | |||
| Name | BDBM50060710 | ||
| Synonyms: | (S)-1-(3,3-Diphenyl-butyryl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide; hydrochloride | CHEMBL543648 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H37N3O2 | ||
| Mol. Mass. | 447.6123 | ||
| SMILES | CC(CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)(c1ccccc1)c1ccccc1 |wU:9.10,(5.27,-.24,;5.29,-1.78,;5.3,-3.32,;6.54,-4.21,;6.38,-5.75,;7.96,-3.6,;8.28,-2.1,;9.8,-1.94,;10.43,-3.35,;9.28,-4.37,;9.44,-5.91,;8.19,-6.81,;10.84,-6.52,;11,-8.06,;12.39,-8.71,;12.8,-9.86,;12.17,-11.56,;13.49,-12.33,;14.45,-13.52,;13.09,-11.08,;13.73,-9.48,;6.62,-1.01,;6.62,.53,;7.96,1.3,;9.3,.53,;9.3,-1.01,;7.97,-1.78,;3.96,-1.01,;3.96,.53,;2.64,1.3,;1.29,.53,;1.32,-1.01,;2.64,-1.78,)| | ||
| Structure | 
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