Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM313733
Substrate
n/a
Meas. Tech.
Measurement of FXIa Inhibition
IC50
16.0±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 
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:
BDBM313733
Synonyms:
5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl}amino)-N-methylpyridine-2-carboxamide (racemate) | US10167280, Example 38
Type:
Small organic molecule
Emp. Form.:
C27H23ClN6O5
Mol. Mass.:
546.962
SMILES:
CNC(=O)c1ccc(NC(=O)C(Cc2coc(C)n2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)cn1
Structure:
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