| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Coagulation factor XI |
|---|
| Ligand | BDBM50542740 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1987832 (CHEMBL4621379) |
|---|
| IC50 | 2.0±n/a nM |
|---|
| Citation |  Lorthiois, E; Roache, J; Barnes-Seeman, D; Altmann, E; Hassiepen, U; Turner, G; Duvadie, R; Hornak, V; Karki, RG; Schiering, N; Weihofen, WA; Perruccio, F; Calhoun, A; Fazal, T; Dedic, D; Durand, C; Dussauge, S; Fettis, K; Tritsch, F; Dentel, C; Druet, A; Liu, D; Kirman, L; Lachal, J; Namoto, K; Bevan, D; Mo, R; Monnet, G; Muller, L; Zessis, R; Huang, X; Lindsley, L; Currie, T; Chiu, YH; Fridrich, C; Delgado, P; Wang, S; Hollis-Symynkywicz, M; Berghausen, J; Williams, E; Liu, H; Liang, G; Kim, H; Hoffmann, P; Hein, A; Ramage, P; D'Arcy, A; Harlfinger, S; Renatus, M; Ruedisser, S; Feldman, D; Elliott, J; Sedrani, R; Maibaum, J; Adams, CM Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J Med Chem63:8088-8113 (2020) [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: | MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
|
|
|
|---|
| BDBM50542740 |
|---|
| n/a |
|---|
| Name | BDBM50542740 |
|---|
| Synonyms: | CHEMBL4646398 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C28H30N2O4 |
|---|
| Mol. Mass. | 458.5488 |
|---|
| SMILES | CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)CN1CCc2cccc(C(O)=O)c12 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
