Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM313714
Substrate
n/a
Meas. Tech.
Measurement of FXIa Inhibition
IC50
4.30±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 
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:
BDBM313714
Synonyms:
5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(1-methyl-1H-pyrazol-3-yl)propanoyl}amino)pyridine-2-carboxamide (racemate) | US10167280, Example 19
Type:
Small organic molecule
Emp. Form.:
C26H22ClN7O4
Mol. Mass.:
531.95
SMILES:
COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(nc2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Structure:
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