Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM251900
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
60.0±n/a nM
Citation
 Röhrig, S; Hillisch, A; Straβburger, J; Heitmeier, S; Schmidt, MV; Schlemmer, K; Buchmüller, A; Gerdes, C; Teller, H; Schäfer, M; Tersteegen, A Substituted oxopyridine derivatives and use thereof as factor XIa/plasma US Patent  US9918969 Publication Date 3/20/2018 
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:
BDBM251900
Synonyms:
US9475809, 12 | US9918969, 12
Type:
Small organic molecule
Emp. Form.:
C24H16ClN3O5
Mol. Mass.:
461.854
SMILES:
OC(=O)c1ccc(NC(=O)Cn2c3CCC(=O)c3c(cc2=O)-c2cc(Cl)ccc2C#N)cc1
Structure:
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