Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM335407
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay
IC50
5.70±n/a nM
Citation
 Courtney, S; Yarnold, C; Flanagan, S; Brace, G; Barker, J; Ichihara, O; Gadouleau, E; Richardson, A; Kondo, T; Imagawa, A; Nakatani, S; Suzuki, R; Kouyama, S Pyridinone and pyrimidinone derivatives as factor Xia US Patent  US9732085 Publication Date 8/15/2017 
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:
BDBM335407
Synonyms:
US10717738, Example 278 | US9732085, 278 | methyl(4-{2-[1-{4-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-2-oxo-1(2H)-pyridinyl}-2-(3-pyridinyl)ethyl]-1H-imidazol-5-yl}phenyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C30H24ClN9O3
Mol. Mass.:
594.023
SMILES:
COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C(Cc1cccnc1)n1ccc(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Structure:
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