Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM238253
Substrate
n/a
Meas. Tech.
In Vitro Factor XIa Enzyme assay
IC50
13.0±n/a nM
Citation
 Imagawa, A; Kondo, T; Nishiyama, T; Courtney, S; Yarnold, C; Ichihara, O; Flanagan, S Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases US Patent  US10336741 Publication Date 7/2/2019 
Target
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:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFTFTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDMKGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITKLDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFTFFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTDFLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKILHGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
  
Inhibitor
Name:
BDBM238253
Synonyms:
US10336741, Example 37 | US10882855, Example 37 | US9394250, 37 | US9585881, Example 37
Type:
Small organic molecule
Emp. Form.:
C26H26ClN7O5
Mol. Mass.:
551.982
SMILES:
OC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](CN2C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)N2CCOCC2)cc1 |r|
Structure:
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