Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM298342
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
894±n/a nM
Citation
Mertz, E; Liu, W; Edmondson, SD; Ali, A; Gao, Y; Neelamkavil, SF; So, S; Moningka, R; Sun, W; Hruza, A; Brockunier, LL Factor XIa inhibitors US Patent US10123995 Publication Date 11/13/2018
More Info.:
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:
BDBM298342
Synonyms:
3-(5-Chloro-2-(H-tetrazol-1-yl)phenyl)-7-(4-((methoxycarbonyl)amino)benzamido)-6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide | US10123995, Example 20
Type:
Small organic molecule
Emp. Form.:
C24H20ClN7O4
Mol. Mass.:
505.913
SMILES:
COC(=O)Nc1ccc(cc1)C(=O)NC1CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1