Reaction Details | |||
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Target | Coagulation factor XI | ||
Ligand | BDBM246249 | ||
Substrate/Competitor | BDBM246300 | ||
Meas. Tech. | Inhibition Assay | ||
pH | 7.4±n/a | ||
Temperature | 298.15±n/a K | ||
IC50 | 0.8±n/a nM | ||
Comments | extracted | ||
Citation | Röhrig, S; Hillisch, A; Straβburger, J; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Buchmüller, A; Gerdes, C; Schäfer, M; Kinzel, T; Teller, H; Schirok, H; Klar, J; Nunez, EJ Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders US Patent US9434690 Publication Date 9/6/2016 | ||
More Info.: | Get all data from this article, Assay Method | ||
Coagulation factor XI | |||
Name: | Coagulation factor XI | ||
Synonyms: | Coagulation factor XIa | Coagulation factor XIa heavy chain | Coagulation factor XIa light chain | F11 | FA11_HUMAN | FXI | Factor XIa | Factor XIa (fXIa) | PTA | Plasma thromboplastin antecedent | ||
Type: | Enzyme | ||
Mol. Mass.: | 70130.58 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P03951 | ||
Residue: | 625 | ||
Sequence: |
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BDBM246249 | |||
BDBM246300 | |||
Name | BDBM246249 | ||
Synonyms: | US10183932, Example 157 | US9434690, 155 | US9434690, 156 | US9434690, 157 | US9822102, Example 157 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H30ClN3O6 | ||
Mol. Mass. | 564.029 | ||
SMILES | CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)CC1 |r,wU:2.1,wD:5.5,(6.67,4.62,;5.33,5.39,;4,4.62,;4,3.08,;2.67,2.31,;1.33,3.08,;,2.31,;,.77,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,;1.33,4.62,;2.67,5.39,)| | ||
Structure |