| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XI |
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| Ligand | BDBM50183946 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_364595 (CHEMBL854192) |
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| IC50 | 1200±n/a nM |
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| Citation |  Deng, H; Bannister, TD; Jin, L; Babine, RE; Quinn, J; Nagafuji, P; Celatka, CA; Lin, J; Lazarova, TI; Rynkiewicz, MJ; Bibbins, F; Pandey, P; Gorga, J; Meyers, HV; Abdel-Meguid, SS; Strickler, JE Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine. Bioorg Med Chem Lett16:3049-54 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Coagulation factor XI |
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| Name: | Coagulation factor XI |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 70130.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03951 |
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| Residue: | 625 |
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| Sequence: | MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
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| BDBM50183946 |
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| n/a |
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| Name | BDBM50183946 |
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| Synonyms: | (S)-2-{3-[(R)-1-(4-bromo-phenyl)-ethyl]-ureido}-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | CHEMBL207453 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H32BrN7O3S |
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| Mol. Mass. | 566.514 |
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| SMILES | [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 |
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| Structure | 
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