Reaction Details  Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM50524338
Substrate
n/a
Meas. Tech.
ChEMBL_1892822 (CHEMBL4394743)
IC50
600±n/a nM
Citation
 Karki, RG; Powers, J; Mainolfi, N; Anderson, K; Belanger, DB; Liu, D; Ji, N; Jendza, K; Gelin, CF; Mac Sweeney, A; Solovay, C; Delgado, O; Crowley, M; Liao, SM; Argikar, UA; Flohr, S; La Bonte, LR; Lorthiois, EL; Vulpetti, A; Brown, A; Long, D; Prentiss, M; Gradoux, N; de Erkenez, A; Cumin, F; Adams, C; Jaffee, B; Mogi, M Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J Med Chem 62:4656-4668 (2019) [PubMed]  Article
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:
BDBM50524338
Synonyms:
CHEMBL4468000
Type:
Small organic molecule
Emp. Form.:
C22H21NO3
Mol. Mass.:
347.407
SMILES:
NCc1cccc(c1)-c1cccc(COc2ccccc2CC(O)=O)c1
Structure:
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