Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prothrombin | ||
| Ligand | BDBM50164268 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_302313 (CHEMBL828902) | ||
| Ki | 1.5±n/a nM | ||
| Citation |  Stauffer, KJ; Williams, PD; Selnick, HG; Nantermet, PG; Newton, CL; Homnick, CF; Zrada, MM; Lewis, SD; Lucas, BJ; Krueger, JA; Pietrak, BL; Lyle, EA; Singh, R; Miller-Stein, C; White, RB; Wong, B; Wallace, AA; Sitko, GR; Cook, JJ; Holahan, MA; Stranieri-Michener, M; Leonard, YM; Lynch, JJ; McMasters, DR; Yan, Y 9-hydroxyazafluorenes and their use in thrombin inhibitors. J Med Chem48:2282-93 (2005) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prothrombin | |||
| Name: | Prothrombin | ||
| Synonyms: | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain | ||
| Type: | Protein | ||
| Mol. Mass.: | 70029.57 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P00734 | ||
| Residue: | 622 | ||
| Sequence: |
| ||
| BDBM50164268 | |||
| n/a | |||
| Name | BDBM50164268 | ||
| Synonyms: | (S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide | CHEMBL364255 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H31N3O3 | ||
| Mol. Mass. | 433.5426 | ||
| SMILES | N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc23)CC1 |wU:9.8,4.4,wD:1.0,(9.04,3.54,;7.74,2.72,;6.37,3.44,;5.07,2.63,;5.13,1.09,;3.83,.27,;2.46,.99,;1.17,.16,;1.22,-1.38,;-.2,.88,;.28,2.35,;-.97,3.26,;-2.21,2.35,;-1.74,.88,;-2.49,-.45,;-1.72,-1.78,;-4.03,-.45,;-3.28,-1.78,;-4.41,1.06,;-3.65,2.42,;-4.44,3.73,;-5.98,3.71,;-6.74,2.35,;-5.96,1.04,;-6.48,-.54,;-7.82,-1.31,;-7.85,-2.85,;-6.52,-3.64,;-5.17,-2.88,;-5.15,-1.34,;6.49,.37,;7.79,1.18,)| | ||
| Structure | 
| ||