Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM335393
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay
IC50
2.40±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:
BDBM335393
Synonyms:
US10717738, Example 57 | US9732085, 57 | methyl{4-[5-chloro-2-({4-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-2-oxo-1(2H)-pyridinyl}methyl)-1H-imidazol-4-yl]phenyl}carbamate
Type:
Small organic molecule
Emp. Form.:
C24H18Cl2N8O3
Mol. Mass.:
537.358
SMILES:
COC(=O)Nc1ccc(cc1)-c1[nH]c(Cn2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)nc1Cl
Structure:
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