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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prothrombin | ||
| Ligand | BDBM50060707 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_208549 (CHEMBL814318) | ||
| Ki | 10.00±n/a nM | ||
| KON | 2100 M-1s-1 | ||
| 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 | ||
| 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: |
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| BDBM50060707 | |||
| n/a | |||
| Name | BDBM50060707 | ||
| Synonyms: | (S)-1-(3-Phenyl-3-pyridin-3-yl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide; TFA | CHEMBL333238 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H34N4O2 | ||
| Mol. Mass. | 434.5738 | ||
| SMILES | NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2cccnc2)CC1 |wU:9.8,(5.07,-10.18,;4.11,-8.99,;3.7,-7.74,;4.34,-6.14,;3.02,-5.37,;1.62,-4.73,;1.45,-3.19,;.06,-2.58,;-1.19,-3.48,;-.1,-1.04,;1.04,-.01,;.42,1.4,;-1.11,1.24,;-1.43,-.27,;-2.84,-.88,;-3.01,-2.42,;-4.07,.02,;-4.1,1.56,;-2.76,2.33,;-1.41,1.56,;-.09,2.33,;-.09,3.87,;-1.43,4.64,;-2.76,3.87,;-5.42,2.33,;-5.42,3.87,;-6.74,4.64,;-8.09,3.87,;-8.07,2.33,;-6.74,1.56,;3.41,-6.52,;2.79,-8.22,)| | ||
| Structure | 
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