Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM313728
Substrate
n/a
Meas. Tech.
Measurement of FXIa Inhibition
IC50
14.0±n/a nM
Citation
Röhrig, S; Jimenez Nunez, E; Schlemmer, K; Tersteegen, A; Teller, H; Hillisch, A; Heitmeier, S; Schmidt, MV; Ackerstaff, J; Stampfuß, J Substituted oxopyridine derivatives US Patent US10167280 Publication Date 1/1/2019
More Info.:
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:
BDBM313728
Synonyms:
5-({2-[4-(2-Cyano-5-methylphenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-4-methoxybutanoyl}amino)pyridine-2-carboxamide (racemate) | US10167280, Example 33 | US10167280, Example 34
Type:
Small organic molecule
Emp. Form.:
C25H25N5O5
Mol. Mass.:
475.4965
SMILES:
COCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(C)ccc1C#N