Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM285521
Substrate
n/a
Meas. Tech.
Measurement of FXIa Inhibition
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
29.0±n/a nM
Comments
extracted
Citation
 Röhrig, S; Hillisch, A; Straβburger, J; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Buchmüller, A; Gerdes, C; Schäfer, M; Teller, H; Jiménez Núnez, E; Schirok, H; Klar, J; Lobell, M Substituted oxopyridine derivatives US Patent  US10077265 Publication Date 9/18/2018 
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:
BDBM285521
Synonyms:
5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-4-methoxybutanoyl}amino)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (racemate) | US10077265, Example 8
Type:
Small organic molecule
Emp. Form.:
C29H29ClN6O6
Mol. Mass.:
593.03
SMILES:
COCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12
Structure:
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