Reaction Details | |||
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Target | Coagulation factor XI | ||
Ligand | BDBM50153047 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_1563872 | ||
Ki | 8.4±n/a nM | ||
Citation | Corte, JR; Fang, T; Pinto, DJ; Orwat, MJ; Rendina, AR; Luettgen, JM; Rossi, KA; Wei, A; Ramamurthy, V; Myers, JE; Sheriff, S; Narayanan, R; Harper, TW; Zheng, JJ; Li, YX; Seiffert, DA; Wexler, RR; Quan, ML Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group. Bioorg Med Chem24:2257-72 (2016) [PubMed] Article | ||
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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BDBM50153047 | |||
n/a | |||
Name | BDBM50153047 | ||
Synonyms: | CHEMBL3780030 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H34N4O3 | ||
Mol. Mass. | 486.6053 | ||
SMILES | COC(=O)Nc1ccc(cc1)-c1cncc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:28.30,17.19,wD:31.34,(-9.07,8.31,;-8,7.69,;-8,6.15,;-9.07,5.54,;-6.67,5.38,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-6.67,-3.86,;-5.33,-3.09,;-5.33,-1.55,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-2.66,-3.08,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;3.74,.92,;1.33,-.77,;,-1.54,)| | ||
Structure |