Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM341297
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
31.0±n/a nM
Citation
 Röhrig, S; Hillisch, A; Strassburger, J; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Buchmüller, A; Gerdes, C; Schäfer, M; Teller, H; Jimenez Nunez, E; Schirok, H; Klar, J Substituted oxopyridine derivatives US Patent  US9765070 Publication Date 9/19/2017 
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:
BDBM341297
Synonyms:
2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridin-1(2H)-yl]-N-(imidazo[1,2-a]pyridin-6-yl)-4-methoxybutanamide (racemate) | US9765070, Example 14
Type:
Small organic molecule
Emp. Form.:
C24H19Cl2N5O3
Mol. Mass.:
496.345
SMILES:
COCCC(C(=O)Nc1ccc2nccn2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Structure:
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