Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM413748
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
0.710±n/a nM
Citation
Jimenez Nunez, E; Ackerstaff, J; Röhrig, S; Hillisch, A; Meier, K; Heitmeier, S; Tersteegen, A; Stampfuß, J; Ellerbrock, P; Meibom, D; Lang, D Substituted oxopyridine derivatives US Patent US10421742 Publication Date 9/24/2019
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:
BDBM413748
Synonyms:
5-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1(2H)-yl}hexanoyl]amino}-N-methylpyridine-2-carboxamide (Racemate) | US10421742, Example 141 | US11180471, Example 141
Type:
Small organic molecule
Emp. Form.:
C26H27ClN8O4
Mol. Mass.:
550.997
SMILES:
CCCCC(C(=O)Nc1ccc(nc1)C(=O)NC)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1